III.B.3.b. (XIII.C.2.)

Vibrational frequency scaling factors

Calculated vibrational frequencies ("theory" in table) are calculated at MP3/6-31G*

Scale factor	How many		Source
	Molecules	Vibrations
0.939 ± 0.020	307	3417	CCCBDB

Jump to histogram

Formula	Name	Mode	Symmetry	Frequency			Count
				Theory	Experiment	ratio	molecules	vibrations
H2CO	Formaldehyde	2	A1	1874	1746	0.931	1	1
		5	B2	3095	2843	0.919	1	2
CCl4	Carbon tetrachloride	1	A1	482	459	0.952	2	3
		2	E	233	217	0.931	2	4
		3	T2	845	776	0.918	2	5
		4	T2	334	314	0.939	2	6
C3H4O2	β–Propiolactone	1	A'	3162	3001	0.949	3	7
		4	A'	1588	1475	0.929	3	8
		7	A'	1275	1199	0.940	3	9
		9	A'	1056	1005	0.952	3	10
		10	A'	1014	924	0.911	3	11
		12	A'	778	746	0.959	3	12
		13	A'	511	513	1.004	3	13
		15	A"	3212	3000	0.934	3	14
		16	A"	1236	1184	0.958	3	15
		18	A"	1099	1046	0.952	3	16
		21	A"	178	113	0.635	3	17
CH3CH2OH	Ethanol	1	A'	3822	3653	0.956	4	18
		3	A'	3112	2939	0.944	4	19
		6	A'	1561	1464	0.937	4	20
		9	A'	1326	1256	0.948	4	21
		12	A'	940	888	0.944	4	22
		14	A"	3203	2991	0.934	4	23
		15	A"	3091	2910	0.941	4	24
		17	A"	1338	1275	0.953	4	25
		18	A"	1226	1161	0.947	4	26
		20	A"	310			4	27
		21	A"	261			4	28
HCOOH	Formic acid	1	A'	3759	3570	0.950	5	29
		3	A'	1921	1770	0.921	5	30
		4	A'	1462	1387	0.948	5	31
		6	A'	1190	1105	0.928	5	32
		7	A'	645	625	0.969	5	33
		9	A"	698	638	0.914	5	34
CH3COOH	Acetic acid	1	A'	3771	3583	0.950	6	35
		4	A'	1934	1788	0.924	6	36
		7	A'	1409	1264	0.897	6	37
		10	A'	901	847	0.940	6	38
		12	A'	430			6	39
		13	A"	3203	2996	0.935	6	40
		15	A"	1109	1048	0.945	6	41
		16	A"	689	642	0.932	6	42
		18	A"	99	93	0.941	6	43
CH3OH	Methyl alcohol	2	A'	3204	3000	0.936	7	44
		5	A'	1539	1455	0.945	7	45
		8	A'	1095	1033	0.943	7	46
		10	A"	1560	1477	0.947	7	47
		11	A"	1206	1165	0.966	7	48
CH3COCH3	Acetone	3	A1	1890	1731	0.916	8	49
		5	A1	1449	1364	0.941	8	50
		6	A1	1122	1066	0.950	8	51
		8	A1	386	385	0.997	8	52
		9	A2	3171	2963	0.934	8	53
		11	A2	927	877	0.946	8	54
		12	A2	68	77	1.125	8	55
		14	B1	1545	1454	0.941	8	56
		15	B1	1164	1091	0.937	8	57
		17	B1	143	125	0.878	8	58
		20	B2	1527	1410	0.923	8	59
		23	B2	935	891	0.952	8	60
CHCl3	Chloroform	2	A1	705	680	0.965	9	61
		6	E	276	260	0.941	9	62
C2H6O2S	Dimethyl sulfone	1	A1	3238	3018	0.932	10	63
		3	A1	1518	1451	0.956	10	64
		6	A1	1065	1013	0.951	10	65
		9	A1	279	294	1.053	10	66
		12	A2	995	937	0.941	10	67
		14	A2	200			10	68
		15	B1	3244	3025	0.932	10	69
		17	B1	1389	1269	0.914	10	70
		18	B1	1056	986	0.934	10	71
		20	B1	230	262	1.139	10	72
		21	B2	3237	3017	0.932	10	73
		23	B2	1509	1438	0.953	10	74
		26	B2	802	771	0.961	10	75
C6H6	Benzene	3	A2g	1405	1326	0.944	11	76
		5	B1u	3224	3068	0.952	11	77
		6	B1u	1029	1010	0.981	11	78
		8	B2g	548	703	1.282	11	79
		9	B2u	1331	1310	0.985	11	80
		11	E1g	858	849	0.990	11	81
		13	E1u	1559	1486	0.953	11	82
		14	E1u	1092	1038	0.950	11	83
		17	E2g	1236	1178	0.953	11	84
		20	E2u	403	410	1.016	11	85
CH3CCl3	Ethane, 1,1,1-trichloro-	2	A1	1483	1386	0.935	12	86
		4	A1	551	526	0.955	12	87
		5	A1	364	344	0.944	12	88
		7	E	3227	3014	0.934	12	89
		9	E	1159	1088	0.939	12	90
		10	E	781	724	0.927	12	91
CH4	Methane	1	A1	3103	2917	0.940	13	92
		3	T2	3229	3019	0.935	13	93
C2H6	Ethane	2	A1g	1493	1388	0.930	14	94
		4	A1u	326	289	0.887	14	95
		5	A2u	3105	2915	0.939	14	96
		7	Eg	3170	2969	0.937	14	97
		9	Eg	1269	1190	0.938	14	98
		10	Eu	3191	2974	0.932	14	99
C2H4	Ethylene	2	Ag	1743	1623	0.931	15	100
		5	B1u	3205	2989	0.932	15	101
		8	B2u	3306	3105	0.939	15	102
		11	B3g	1268	1217	0.960	15	103
C2H2	Acetylene	2	Σg	2115	1974	0.933	16	104
		4	Πg	436	612	1.404	16	105
CH3Cl	Methyl chloride	2	A1	1464	1355	0.925	17	106
		6	E	1082	1015	0.938	17	107
CH3NH2	methyl amine	1	A'	3534	3361	0.951	18	108
		4	A'	1740	1623	0.933	18	109
		7	A'	1225	1130	0.922	18	110
		10	A"	3620	3427	0.947	18	111
		13	A"	1401	1335	0.953	18	112
		15	A"	338	268	0.793	18	113
HCN	Hydrogen cyanide	1	Σ	3535	3312	0.937	19	114
		2	Σ	2267	2089	0.922	19	115
CH3SH	Methanethiol	3	A'	2757	2597	0.942	20	116
		6	A'	1150	1074	0.934	20	117
		9	A"	3224	3000	0.931	20	118
		11	A"	1030	976	0.948	20	119
C3H8	Propane	1	A1	3177	2977	0.937	21	120
		3	A1	3096	2887	0.932	21	121
		4	A1	1575	1476	0.937	21	122
		6	A1	1482	1392	0.939	21	123
		7	A1	1221	1158	0.948	21	124
		9	A1	379	369	0.973	21	125
		10	A2	3168	2967	0.937	21	126
		12	A2	1358	1278	0.941	21	127
		15	B1	3176	2973	0.936	21	128
		18	B1	1266	1192	0.942	21	129
		21	B2	3175	2968	0.935	21	130
		23	B2	1558	1464	0.940	21	131
		24	B2	1473	1378	0.936	21	132
		26	B2	1109	1054	0.951	21	133
		27	B2	960	922	0.960	21	134
CH3CCH	propyne	1	A1	3534	3334	0.943	22	135
		4	A1	1474	1382	0.938	22	136
		8	E	1084	1053	0.971	22	137
		9	E	551	633	1.148	22	138
CH3CH2Cl	Ethyl chloride	3	A'	3111	2881	0.926	23	139
		5	A'	1553	1448	0.932	23	140
		6	A'	1478	1385	0.937	23	141
		8	A'	1132	1081	0.955	23	142
		9	A'	1031	974	0.945	23	143
		11	A'	344	336	0.978	23	144
		12	A"	3226	3014	0.934	23	145
		14	A"	1546	1448	0.937	23	146
		17	A"	814	786	0.965	23	147
CH2CHCl	Ethene, chloro-	1	A'	3323	3121	0.939	24	148
		3	A'	3229	3030	0.938	24	149
		6	A'	1354	1279	0.945	24	150
		9	A'	408	395	0.967	24	151
		12	A"	642	620	0.966	24	152
CH2CHF	Ethene, fluoro-	1	A'	3342	3115	0.932	25	153
		3	A'	3244	3052	0.941	25	154
		4	A'	1775	1654	0.932	25	155
		6	A'	1370	1306	0.953	25	156
		7	A'	1214	1156	0.952	25	157
		9	A'	488	483	0.989	25	158
		10	A"	977	940	0.962	25	159
		12	A"	738	711	0.963	25	160
CH3CH2NH2	Ethylamine	1	A'	3514	3345	0.952	26	161
		4	A'	3089	2860	0.926	26	162
		6	A'	1568	1487	0.948	26	163
		7	A'	1551	1465	0.945	26	164
		9	A'	1429	1397	0.977	26	165
		10	A'	1203	1016	0.845	26	166
		12	A'	952	892	0.937	26	167
		13	A'	913	773	0.847	26	168
		15	A"	3600	3412	0.948	26	169
		18	A"	1556	1455	0.935	26	170
		21	A"	1038	1117	1.076	26	171
		24	A"	270	218	0.807	26	172
CH3CN	Acetonitrile	1	A1	3128	2954	0.944	27	173
		2	A1	2454	2267	0.924	27	174
		4	A1	956	920	0.962	27	175
		6	E	1534	1448	0.944	27	176
CH3CHO	Acetaldehyde	1	A'	3225	3014	0.935	28	177
		3	A'	3009	2716	0.903	28	178
		4	A'	1892	1743	0.921	28	179
		6	A'	1482	1395	0.941	28	180
		7	A'	1444	1352	0.936	28	181
		9	A'	933	867	0.929	28	182
		12	A"	1531	1431	0.935	28	183
		15	A"	148	150	1.014	28	184
CH3CH2SH	ethanethiol	2	A'	3136	2872	0.916	29	185
		5	A'	1565	1453	0.928	29	186
		8	A'	1376	1309	0.951	29	187
		10	A'	1039	978	0.941	29	188
		11	A'	900	870	0.966	29	189
		13	A'	315	332	1.053	29	190
		14	A"	3201	2966	0.927	29	191
		16	A"	1554	1453	0.935	29	192
		17	A"	1320	1269	0.962	29	193
		19	A"	820	745	0.909	29	194
CH2Cl2	Methylene chloride	2	A1	1530	1467	0.959	30	195
		3	A1	751	717	0.954	30	196
		5	A2	1245	1153	0.926	30	197
		6	B1	3278	3040	0.927	30	198
		8	B2	1377	1268	0.921	30	199
		9	B2	818	758	0.927	30	200
CH2F2	Methane, difluoro-	1	A1	3142	2948	0.938	31	201
		2	A1	1611	1508	0.936	31	202
		4	A1	531	529	0.996	31	203
		5	A2	1313	1262	0.961	31	204
		7	B1	1221	1178	0.965	31	205
		8	B2	1529	1435	0.939	31	206
HNCO	Isocyanic acid	2	A'	2404	2269	0.944	32	207
		5	A'	565	577	1.021	32	208
CS2	Carbon disulfide	1	Σg	710	658	0.927	33	209
		2	Σu	1620	1535	0.947	33	210
CH3SCH3	Dimethyl sulfide	2	A1	3109	2930	0.942	34	211
		5	A1	1104	973	0.881	34	212
		8	A2	3198	2952	0.923	34	213
		10	A2	1009	919	0.911	34	214
		13	B1	1533	1439	0.939	34	215
		14	B1	1046	973	0.930	34	216
		16	B2	3214	2998	0.933	34	217
		17	B2	3113	2930	0.941	34	218
		19	B2	1428	1315	0.921	34	219
C3H6	Cyclopropane	2	A1'	1590	1479	0.930	35	220
		3	A1'	1264	1188	0.940	35	221
		5	A2'	1125	1070	0.951	35	222
		6	A2"	3301	3103	0.940	35	223
		8	E'	3204	3025	0.944	35	224
		11	E'	933	866	0.928	35	225
		14	E"	772	739	0.957	35	226
C2H4O	Ethylene oxide	3	A1	1342	1271	0.947	36	227
		6	A2	3256	3063	0.941	36	228
		8	A2	1073	860	0.801	36	229
		9	B1	3270	3065	0.937	36	230
		11	B1	844	822	0.974	36	231
		12	B2	3170	3006	0.948	36	232
		14	B2	1178	1151	0.977	36	233
		15	B2	908	892	0.982	36	234
CH3CH(CH3)CH3	Isobutane	2	A1	3092	2904	0.939	37	235
		5	A1	1488	1394	0.937	37	236
		7	A1	832	797	0.958	37	237
		8	A1	446	426	0.955	37	238
		10	A2	1544	1475	0.955	37	239
		11	A2	987	966	0.979	37	240
		13	E	3173	2962	0.933	37	241
		16	E	1567	1477	0.942	37	242
		19	E	1416	1330	0.939	37	243
		20	E	1240	1166	0.940	37	244
		22	E	955	918	0.962	37	245
		23	E	377	367	0.973	37	246
CH3CHClCH3	Propane, 2-chloro-	2	A'	3188	2955	0.927	38	247
		3	A'	3161	2927	0.926	38	248
		5	A'	1565	1472	0.940	38	249
		8	A'	1363	1270	0.932	38	250
		11	A'	939	888	0.946	38	251
		14	A'	351	336	0.957	38	252
		16	A"	3203	2997	0.936	38	253
		17	A"	3182	2985	0.938	38	254
		19	A"	1546	1472	0.952	38	255
		20	A"	1541	1454	0.944	38	256
		22	A"	1412	1334	0.945	38	257
		23	A"	1196	1123	0.939	38	258
		25	A"	973	936	0.962	38	259
CH2CCl2	Ethene, 1,1-dichloro-	1	A1	3245	3035	0.935	39	260
		4	A1	627	603	0.961	39	261
		7	B1	904	875	0.968	39	262
		10	B2	1153	1095	0.950	39	263
		12	B2	388	372	0.959	39	264
CH3COCl	Acetyl Chloride	3	A'	1950	1818	0.932	40	265
		5	A'	1456	1368	0.940	40	266
		6	A'	1174	1108	0.944	40	267
		8	A'	646	604	0.935	40	268
		9	A'	474	445	0.940	40	269
		11	A"	3208	2990	0.932	40	270
		12	A"	1525	1431	0.938	40	271
		14	A"	532	518	0.974	40	272
CH3CHF2	Ethane, 1,1-difluoro-	1	A'	3221	3015	0.936	41	273
		3	A'	3126	2964	0.948	41	274
		6	A'	1448	1357	0.937	41	275
		9	A'	910	868	0.953	41	276
		12	A"	3217			41	277
		14	A"	1463	1362	0.931	41	278
		15	A"	1228	1135	0.924	41	279
		17	A"	388			41	280
		18	A"	261			41	281
CH2CF2	Ethene, 1,1-difluoro-	2	A1	1850	1728	0.934	42	282
		4	A1	962	926	0.962	42	283
		5	A1	547	550	1.005	42	284
		7	B1	813	803	0.988	42	285
		8	B1	618	611	0.989	42	286
		10	B2	1401	1302	0.929	42	287
		11	B2	994	955	0.960	42	288
CCl2O	Phosgene	1	A1	1943	1827	0.940	43	289
		3	A1	318	285	0.897	43	290
		4	B1	603	580	0.962	43	291
		6	B2	468	440	0.940	43	292
CHF3	Methane, trifluoro-	2	A1	1189	1117	0.940	44	293
		3	A1	713	700	0.982	44	294
		5	E	1246	1152	0.925	44	295
		6	E	512	507	0.990	44	296
N(CH3)3	Trimethylamine	2	A1	3015	2775	0.920	45	297
		3	A1	1565	1459	0.932	45	298
		5	A1	1254	1186	0.946	45	299
		6	A1	870	828	0.952	45	300
		8	A2	3182	2977	0.935	45	301
		11	A2	254	255	1.003	45	302
		13	E	3138	2953	0.941	45	303
		16	E	1543	1444	0.936	45	304
		17	E	1497	1409	0.941	45	305
		19	E	1155	1103	0.955	45	306
		20	E	1098	1043	0.950	45	307
CFCl3	Trichloromonofluoromethane	1	A1	1173	1085	0.925	46	308
		3	A1	368	350	0.951	46	309
		5	E	411	394	0.958	46	310
CF2Cl2	difluorodichloromethane	2	A1	683	667	0.977	47	311
		3	A1	469	458	0.976	47	312
		5	A2	332	322	0.970	47	313
		6	B1	974	902	0.926	47	314
		8	B2	1263	1159	0.918	47	315
		9	B2	446	446	1.001	47	316
CF3Cl	Methane, chlorotrifluoro-	1	A1	1182	1105	0.935	48	317
		3	A1	490	476	0.972	48	318
		5	E	567	563	0.994	48	319
CF4	Carbon tetrafluoride	1	A1	936	909	0.971	49	320
		3	T2	1380	1280	0.927	49	321
		4	T2	637	631	0.990	49	322
C2F6	hexafluoroethane	1	A1g	1524	1420	0.932	50	323
		3	A1g	358	349	0.976	50	324
		4	A1u	67	68	1.011	50	325
		6	A2u	719	714	0.994	50	326
		7	Eg	1337	1237	0.925	50	327
		8	Eg	631	620	0.982	50	328
		11	Eu	525	523	0.995	50	329
C5H8	1,3-Butadiene, 2-methyl-	1	A'	3301	3095	0.938	51	330
		3	A'	3222	3000	0.931	51	331
		4	A'	3208	3000	0.935	51	332
		6	A'	3191	2984	0.935	51	333
		7	A'	3097	2904	0.938	51	334
		9	A'	1719	1607	0.935	51	335
		12	A'	1485	1389	0.935	51	336
		15	A'	1363	1303	0.956	51	337
		18	A'	994	953	0.959	51	338
		20	A'	542	530	0.977	51	339
		21	A'	431	396	0.919	51	340
		23	A"	3163	2949	0.932	51	341
		24	A"	1540	1451	0.942	51	342
		26	A"	1026	991	0.966	51	343
		27	A"	926	907	0.980	51	344
		29	A"	787	757	0.962	51	345
		32	A"	212	153	0.720	51	346
CHOCH(CH3)CH3	Propanal, 2-methyl-	1	A'	3187	2974	0.933	52	347
		4	A'	3098	2876	0.928	52	348
		6	A'	1888	1752	0.928	52	349
		7	A'	1569	1474	0.939	52	350
		9	A'	1482	1399	0.944	52	351
		10	A'	1467	1381	0.941	52	352
		12	A'	1229	1182	0.962	52	353
		13	A'	1222	1138	0.932	52	354
		15	A'	875	800	0.914	52	355
		16	A'	560	632	1.129	52	356
		18	A'	341	272	0.799	52	357
		21	A"	3172	2982	0.940	52	358
		24	A"	1548	1452	0.938	52	359
		27	A"	1183	1109	0.938	52	360
		29	A"	982	942	0.959	52	361
		30	A"	960	933	0.972	52	362
		32	A"	221	227	1.025	52	363
		33	A"	61	75	1.231	52	364
CH2ClCHClCH3	Propane, 1,2-dichloro-	1	A	3238	3022	0.933	53	365
		2	A	3211	3004	0.936	53	366
		4	A	3179	2970	0.934	53	367
		5	A	3169	2949	0.931	53	368
		7	A	1558	1462	0.939	53	369
		10	A	1480	1391	0.940	53	370
		13	A	1327	1238	0.933	53	371
		16	A	1142	1076	0.942	53	372
		18	A	955	890	0.932	53	373
		19	A	912	850	0.932	53	374
		21	A	729	685	0.939	53	375
		22	A	427	417	0.978	53	376
		24	A	295	285	0.966	53	377
		25	A	263	250	0.949	53	378
		27	A	118	108	0.918	53	379
CHClCCl2	Trichloroethylene	2	A'	1718	1586	0.923	54	380
		3	A'	1336	1247	0.933	54	381
		5	A'	886	840	0.948	54	382
		6	A'	656	630	0.961	54	383
		8	A'	288	277	0.962	54	384
		11	A"	480	451	0.939	54	385
CH3COOCH3	methyl acetate	2	A'	3240	3031	0.935	55	386
		4	A'	3126	2964	0.948	55	387
		5	A'	1913	1771	0.926	55	388
		7	A'	1536	1440	0.938	55	389
		8	A'	1529	1430	0.935	55	390
		10	A'	1354	1248	0.922	55	391
		11	A'	1250	1159	0.927	55	392
		13	A'	1030	980	0.951	55	393
		16	A'	436	429	0.984	55	394
		19	A"	3202	2994	0.935	55	395
		22	A"	1214	1187	0.978	55	396
		24	A"	617	607	0.983	55	397
		25	A"	182	187	1.026	55	398
		27	A"	85	110	1.297	55	399
CH3CH2CH2CH3	Butane	1	Ag	3176	2965	0.934	56	400
		1	A	3186	2965	0.931	56	401
		3	Ag	3081	2853	0.926	56	402
		3	A	3124	2853	0.913	56	403
		4	Ag	1565	1460	0.933	56	404
		4	A	3100	1460	0.471	56	405
		6	Ag	1476	1382	0.936	56	406
		6	A	1573	1382	0.879	56	407
		7	Ag	1457	1361	0.934	56	408
		7	A	1568	1361	0.868	56	409
		9	Ag	1116	1059	0.949	56	410
		9	A	1476	1059	0.717	56	411
		10	Ag	875	837	0.956	56	412
		10	A	1439	837	0.582	56	413
		12	Au	3173	2968	0.935	56	414
		12	A	1245	2968	2.384	56	415
		15	Au	1335	1257	0.942	56	416
		15	A	865	1257	1.453	56	417
		18	Au	233	194	0.832	56	418
		18	A	278	194	0.699	56	419
		21	Bg	3112	2912	0.936	56	420
		21	B	3173	2912	0.918	56	421
		23	Bg	1372	1300	0.947	56	422
		23	B	3097	1300	0.420	56	423
		24	Bg	1261	1180	0.936	56	424
		24	B	3084	1180	0.383	56	425
		26	Bg	270	225	0.834	56	426
		26	B	1560	225	0.144	56	427
		27	Bu	3176	2968	0.934	56	428
		27	B	1549	2968	1.916	56	429
		29	Bu	3088	2853	0.924	56	430
		29	B	1420	2853	2.009	56	431
		30	Bu	1575	1461	0.928	56	432
		30	B	1334	1461	1.095	56	433
		32	Bu	1476	1379	0.934	56	434
		32	B	1008	1379	1.368	56	435
		33	Bu	1366	1290	0.944	56	436
		33	B	998	1290	1.292	56	437
		35	Bu	1010	964	0.955	56	438
		35	B	449	964	2.146	56	439
CH2CHCHCH2	1,3-Butadiene	3	Ag	3199	2992	0.935	57	440
		6	Ag	1352	1280	0.947	57	441
		9	Ag	525	512	0.976	57	442
		11	Au	927	908	0.980	57	443
		12	Au	534	522	0.978	57	444
		14	Bg	1000	976	0.976	57	445
		15	Bg	927	912	0.984	57	446
		17	Bu	3298	3101	0.940	57	447
		18	Bu	3214	3055	0.951	57	448
		20	Bu	1707	1596	0.935	57	449
		23	Bu	1030	990	0.961	57	450
CHCCH2CH3	1-Butyne	1	A'	3534	3332	0.943	58	451
		2	A'	3192	2988	0.936	58	452
		4	A'	3103			58	453
		5	A'	2288	2116	0.925	58	454
		7	A'	1546	1446	0.935	58	455
		10	A'	1128	1070	0.948	58	456
		13	A'	581	634	1.091	58	457
		16	A"	3199	2988	0.934	58	458
		18	A"	1556	1462	0.940	58	459
		19	A"	1328	1261	0.949	58	460
		21	A"	811	782	0.964	58	461
		22	A"	561	630	1.124	58	462
		24	A"	219	213	0.972	58	463
CH2ClCH2Cl	Ethane, 1,2-dichloro-	2	Ag	1553	1445	0.930	59	464
		4	Ag	1110	1052	0.948	59	465
		5	Ag	828	754	0.910	59	466
		7	Au	3249	3005	0.925	59	467
		8	Au	1204	1123	0.933	59	468
		10	Au	126	123	0.975	59	469
		11	Bg	3230	3005	0.930	59	470
		13	Bg	1068	989	0.926	59	471
		16	Bu	1324	1232	0.931	59	472
C3H3N	acrylonitrile	1	A'	3323	3125	0.940	60	473
		4	A'	2437	2239	0.919	60	474
		7	A'	1357	1282	0.945	60	475
		10	A'	579	570	0.985	60	476
		12	A"	1012	972	0.961	60	477
		13	A"	977	954	0.977	60	478
		15	A"	341	362	1.062	60	479
C3H6O	2-Propen-1-ol	1	A	3820	3675	0.962	61	480
		3	A	3227	3022	0.936	61	481
		4	A	3207	2995	0.934	61	482
		6	A	3046	2866	0.941	61	483
		7	A	1773	1654	0.933	61	484
		9	A	1525	1414	0.927	61	485
		12	A	1311	1293	0.986	61	486
		15	A	1121	1110	0.990	61	487
		18	A	950	919	0.968	61	488
		21	A	457	554	1.213	61	489
		23	A	278	277	0.998	61	490
		24	A	113	188	1.671	61	491
C2H2O2	Ethanedial	2	Ag	1875	1745	0.931	62	492
		3	Ag	1420	1338	0.943	62	493
		5	Ag	584	551	0.943	62	494
		6	Au	830	801	0.965	62	495
		8	Bg	1082	1048	0.969	62	496
		11	Bu	1384	1312	0.948	62	497
CH3OCHO	methyl formate	2	A'	3154	2969	0.941	63	498
		5	A'	1557	1454	0.934	63	499
		7	A'	1455	1371	0.942	63	500
		8	A'	1300	1207	0.929	63	501
		10	A'	994	925	0.931	63	502
		11	A'	800	767	0.959	63	503
		13	A"	3216	3012	0.937	63	504
		14	A"	1548	1443	0.932	63	505
		16	A"	1071	1032	0.964	63	506
C6H5Cl	chlorobenzene	1	A1	3269	3084	0.944	64	507
		2	A1	3257	3054	0.938	64	508
		4	A1	1695	1586	0.936	64	509
		5	A1	1561	1483	0.950	64	510
		7	A1	1152	1092	0.948	64	511
		8	A1	1073	1025	0.955	64	512
		10	A1	732	706	0.965	64	513
		13	A2	841	832	0.990	64	514
		16	B1	877	902	1.028	64	515
		19	B1	467	467	1.001	64	516
		22	B2	3245	3067	0.945	64	517
		24	B2	1522	1448	0.951	64	518
		25	B2	1369	1326	0.968	64	519
		27	B2	1209	1157	0.957	64	520
		28	B2	1131	1068	0.944	64	521
		30	B2	303	295	0.972	64	522
C5H12	Pentane	1	A1	3175	2973	0.936	65	523
		4	A1	3071	2866	0.933	65	524
		7	A1	1552	1450	0.934	65	525
		10	A1	1204	1144	0.950	65	526
		12	A1	906	867	0.957	65	527
		13	A1	410	401	0.978	65	528
		15	A2	3172	2967	0.936	65	529
		16	A2	3121	2908	0.932	65	530
		18	A2	1371	1346	0.982	65	531
		19	A2	1313	1269	0.967	65	532
		21	A2	788	766	0.973	65	533
		24	B1	3172	2965	0.935	65	534
		27	B1	1560	1469	0.942	65	535
		30	B1	895	858	0.958	65	536
		32	B1	252	215	0.854	65	537
		33	B1	117	88	0.755	65	538
		35	B2	3095	2879	0.930	65	539
		36	B2	3083	2866	0.930	65	540
		38	B2	1552	1456	0.938	65	541
		39	B2	1475	1389	0.942	65	542
		41	B2	1330	1269	0.954	65	543
		44	B2	964	910	0.944	65	544
CH3CH2CH2CN	Butanenitrile	2	A'	3120	2895	0.928	66	545
		5	A'	2447	2263	0.925	66	546
		7	A'	1555	1457	0.937	66	547
		8	A'	1539	1438	0.935	66	548
		10	A'	1448	1346	0.930	66	549
		11	A'	1348	1334	0.989	66	550
		13	A'	1096	1053	0.961	66	551
		14	A'	991	920	0.928	66	552
		16	A'	532	551	1.036	66	553
		19	A"	3182	2986	0.938	66	554
		22	A"	1560	1469	0.942	66	555
		25	A"	1170	1083	0.926	66	556
		28	A"	379	370	0.978	66	557
		30	A"	100			66	558
C3H2N2	Malononitrile	1	A1	3129	2935	0.938	67	559
		2	A1	2468	2275	0.922	67	560
		4	A1	927	890	0.960	67	561
		5	A1	592	582	0.984	67	562
		7	A2	1278	1220	0.954	67	563
		10	B1	974	933	0.958	67	564
		13	B2	1395	1318	0.945	67	565
C4H5N	Pyrrole	2	A1	3325	3149	0.947	68	566
		5	A1	1477	1401	0.949	68	567
		8	A1	1071	1017	0.949	68	568
		11	A2	674	692	1.026	68	569
		13	B1	801	827	1.032	68	570
		14	B1	731	722	0.987	68	571
		16	B1	442	475	1.074	68	572
		17	B2	3319	3143	0.947	68	573
		19	B2	1638	1519	0.927	68	574
		20	B2	1532	1424	0.930	68	575
		22	B2	1204	1134	0.942	68	576
		23	B2	1107	1049	0.948	68	577
C4H8O	Furan, tetrahydro-	1	A	3173	2962	0.933	69	578
		2	A	3148	2941	0.934	69	579
		4	A	3078	2875	0.934	69	580
		7	A	1450	1365	0.941	69	581
		10	A	1242	1178	0.949	69	582
		13	A	968	919	0.949	69	583
		15	A	877	840	0.958	69	584
		16	A	685	657	0.959	69	585
		18	B	3182	2972	0.934	69	586
		19	B	3147	2934	0.932	69	587
		21	B	3074	2858	0.930	69	588
		22	B	1590	1477	0.929	69	589
		24	B	1413	1334	0.944	69	590
		27	B	1224	1162	0.949	69	591
		30	B	946	910	0.962	69	592
		33	B	46	137	2.994	69	593
C4H4O	Furan	2	A1	3321	3140	0.945	70	594
		5	A1	1201	1140	0.949	70	595
		8	A1	900	871	0.968	70	596
		10	A2	725	728	1.004	70	597
		11	A2	583	603	1.035	70	598
		13	B1	763	745	0.976	70	599
		14	B1	618	613	0.991	70	600
		16	B2	3310	3129	0.945	70	601
		17	B2	1664	1556	0.935	70	602
		19	B2	1275	1180	0.925	70	603
C4H4S	Thiophene	1	A1	3320	3126	0.942	71	604
		3	A1	1511	1409	0.932	71	605
		6	A1	1081	1036	0.958	71	606
		9	A2	866	867	1.002	71	607
		12	B1	874	839	0.959	71	608
		14	B1	452	452	1.000	71	609
		15	B2	3318	3125	0.942	71	610
		17	B2	1626	1504	0.925	71	611
		18	B2	1325	1256	0.948	71	612
		20	B2	911	903	0.992	71	613
		21	B2	776	751	0.967	71	614
C6H14	Hexane	3	Ag	3085	2863	0.928	72	615
		6	Ag	1555	1460	0.939	72	616
		8	Ag	1475	1397	0.947	72	617
		9	Ag	1473	1366	0.927	72	618
		11	Ag	1201	1140	0.949	72	619
		12	Ag	1119	1065	0.952	72	620
		14	Ag	938	901	0.960	72	621
		15	Ag	378	371	0.982	72	622
		17	Au	3172	2967	0.935	72	623
		18	Au	3136	2936	0.936	72	624
		20	Au	1560	1460	0.936	72	625
		23	Au	1044	1010	0.968	72	626
		26	Au	261	216	0.828	72	627
		29	Bg	3172	2966	0.935	72	628
		31	Bg	3099	2908	0.938	72	629
		32	Bg	1560	1460	0.936	72	630
		34	Bg	1351	1283	0.950	72	631
		35	Bg	1258	1168	0.928	72	632
		37	Bg	766	740	0.967	72	633
		38	Bg	250	208	0.832	72	634
		40	Bu	3175	2967	0.934	72	635
		43	Bu	3073	2851	0.928	72	636
		46	Bu	1551	1452	0.936	72	637
		49	Bu	1307	1249	0.955	72	638
		51	Bu	1099	1035	0.942	72	639
		52	Bu	927	888	0.958	72	640
		54	Bu	135	139	1.030	72	641
C4H4N2	Succinonitrile	1	Ag	3132	2947	0.941	73	642
		2	Ag	2453	2254	0.919	73	643
		4	Ag	1445	1328	0.919	73	644
		7	Ag	516	508	0.984	73	645
		10	Au	1244	1197	0.962	73	646
		13	Au	77			73	647
		15	Bg	1354	1226	0.905	73	648
		16	Bg	1076	951	0.884	73	649
		18	Bu	3139	2965	0.944	73	650
		19	Bu	2453	2255	0.919	73	651
		21	Bu	1332	1270	0.953	73	652
		22	Bu	962	917	0.953	73	653
		24	Bu	130			73	654
C6H12	Cyclohexane	1	A1g	3131	2930	0.936	74	655
		1	A	3154	2930	0.929	74	656
		3	A1g	1575	1465	0.930	74	657
		3	A	3127	1465	0.469	74	658
		4	A1g	1229	1157	0.941	74	659
		4	A	3100	1157	0.373	74	660
		6	A1g	392	383	0.978	74	661
		6	A	3090	383	0.124	74	662
		7	A1u	1432	1383	0.966	74	663
		7	A	1586	1383	0.872	74	664
		9	A1u	1148	1057	0.920	74	665
		9	A	1551	1057	0.681	74	666
		10	A2g	1387	1437	1.036	74	667
		10	A	1438	1437	0.999	74	668
		12	A2u	3140	2915	0.928	74	669
		12	A	1377	2915	2.117	74	670
		15	A2u	1075	1030	0.958	74	671
		15	A	1296	1030	0.795	74	672
		19	Eg	1547	1443	0.933	74	673
		21	A	807	1443	1.789	74	674
		20	Eg	1439	1347	0.936	74	675
		23	A	440	1347	3.062	74	676
		22	Eg	1076	1027	0.954	74	677
		27	B	3139	1027	0.327	74	678
		23	Eg	820	785	0.958	74	679
		29	B	3099	785	0.253	74	680
		26	Eu	3077	2863	0.930	74	681
		35	B	1427	2863	2.007	74	682
		29	Eu	1326	1261	0.951	74	683
		41	B	1162	1261	1.086	74	684
		30	Eu	947	907	0.958	74	685
		43	B	1053	907	0.862	74	686
		32	Eu	241	248	1.029	74	687
		47	B	561	248	0.442	74	688
C5H5N	Pyridine	1	A1	3265	3094	0.948	75	689
		4	A1	1698	1584	0.933	75	690
		6	A1	1281	1218	0.950	75	691
		7	A1	1125	1072	0.952	75	692
		9	A1	1033	991	0.959	75	693
		10	A1	622	601	0.967	75	694
		12	A2	894	880	0.985	75	695
		13	A2	389	373	0.959	75	696
		15	B1	940	937	0.996	75	697
		16	B1	747	744	0.996	75	698
		18	B1	410	403	0.983	75	699
		21	B2	1684	1581	0.939	75	700
		24	B2	1269	1227	0.967	75	701
		27	B2	678	652	0.962	75	702
C3H6O3	1,3,5-Trioxane	3	A1	1591	1477	0.928	76	703
		6	A1	783	749	0.956	76	704
		8	A2	1434			76	705
		9	A2	1286	1255	0.976	76	706
		11	E	3224	3020	0.937	76	707
		13	E	1570	1477	0.941	76	708
		14	E	1491	1412	0.947	76	709
		17	E	1124	1068	0.950	76	710
		20	E	303	307	1.014	76	711
C5H11N	Piperidine	1	A'	3555	3341	0.940	77	712
		1	A'	3519	3341	0.950	77	713
		2	A'	3152	2947	0.935	77	714
		2	A'	3146	2947	0.937	77	715
		4	A'	3134	2917	0.931	77	716
		4	A'	3130	2917	0.932	77	717
		5	A'	3100	2892	0.933	77	718
		5	A'	3089	2892	0.936	77	719
		7	A'	2994	2730	0.912	77	720
		7	A'	3077	2730	0.887	77	721
		10	A'	1549	1444	0.932	77	722
		10	A'	1549	1444	0.932	77	723
		13	A'	1352	1346	0.995	77	724
		13	A'	1380	1346	0.975	77	725
		16	A'	1102	1035	0.939	77	726
		16	A'	1088	1035	0.951	77	727
		18	A'	945	906	0.959	77	728
		18	A'	961	906	0.943	77	729
		19	A'	908	853	0.939	77	730
		19	A'	897	853	0.951	77	731
		21	A'	821	743	0.905	77	732
		21	A'	820	743	0.907	77	733
		22	A'	562	546	0.971	77	734
		22	A'	571	546	0.957	77	735
		24	A'	416	404	0.970	77	736
		24	A'	405	404	0.998	77	737
		25	A'	255	246	0.966	77	738
		25	A'	250	246	0.984	77	739
		27	A"	3135	2902	0.926	77	740
		27	A"	3128	2902	0.928	77	741
		30	A"	1565	1468	0.938	77	742
		30	A"	1551	1468	0.946	77	743
		33	A"	1436	1332	0.928	77	744
		33	A"	1434	1332	0.929	77	745
		36	A"	1333	1258	0.944	77	746
		36	A"	1337	1258	0.941	77	747
		38	A"	1205	1146	0.951	77	748
		38	A"	1182	1146	0.969	77	749
		39	A"	1189	1115	0.938	77	750
		39	A"	1152	1115	0.968	77	751
		41	A"	1012	964	0.953	77	752
		41	A"	980	964	0.984	77	753
		42	A"	916	874	0.954	77	754
		42	A"	910	874	0.961	77	755
		44	A"	458	445	0.971	77	756
		44	A"	463	445	0.961	77	757
		45	A"	259	254	0.982	77	758
		45	A"	247	254	1.027	77	759
CH2CHCH3	Propene	3	A'	3200	2991	0.935	78	760
		6	A'	1772	1650	0.931	78	761
		8	A'	1505	1420	0.944	78	762
		9	A'	1467	1378	0.939	78	763
		11	A'	1230	1171	0.952	78	764
		12	A'	977	963	0.986	78	765
		14	A'	433	428	0.989	78	766
		15	A"	3158	2954	0.935	78	767
		17	A"	1106	1045	0.945	78	768
		18	A"	1038	991	0.955	78	769
		20	A"	594	578	0.974	78	770
CH3OCH3	Dimethyl ether	1	A1	3203	2996	0.935	79	771
		4	A1	1547	1452	0.939	79	772
		7	A1	432	418	0.967	79	773
		9	A2	1544	1464	0.948	79	774
		10	A2	1195	1150	0.962	79	775
		12	B1	3108	2925	0.941	79	776
		13	B1	1555	1464	0.941	79	777
		15	B1	263	242	0.921	79	778
		16	B2	3202	2996	0.936	79	779
		18	B2	1561	1464	0.938	79	780
		19	B2	1512	1452	0.960	79	781
		21	B2	1158	1102	0.951	79	782
CH2C(CH3)CH3	1-Propene, 2-methyl-	2	A1	3187	2941	0.923	80	783
		3	A1	3089	2911	0.942	80	784
		5	A1	1563	1470	0.941	80	785
		6	A1	1500	1416	0.944	80	786
		8	A1	1118	1064	0.952	80	787
		9	A1	843	801	0.950	80	788
		11	A2	3147	2970	0.944	80	789
		14	A2	719			80	790
		17	B1	1548	1444	0.933	80	791
		20	B1	433	429	0.990	80	792
		22	B2	3285	3086	0.940	80	793
		23	B2	3185	2980	0.936	80	794
		25	B2	1550	1458	0.941	80	795
		26	B2	1475	1381	0.936	80	796
		28	B2	1013	1043	1.029	80	797
		29	B2	998	974	0.976	80	798
C2F4	Tetrafluoroethylene	1	Ag	1983	1872	0.944	81	799
		4	Au	202	190	0.939	81	800
		7	B2g	478	508	1.062	81	801
		10	B3g	1426	1340	0.939	81	802
		12	B3u	422	406	0.961	81	803
CH3CH2CHO	Propanal	1	A'	3199	2981	0.932	82	804
		4	A'	3003	2809	0.935	82	805
		7	A'	1528	1416	0.927	82	806
		9	A'	1466	1376	0.939	82	807
		10	A'	1427	1335	0.935	82	808
		12	A'	1040	993	0.955	82	809
		13	A'	898	848	0.945	82	810
		15	A'	272	271	0.997	82	811
		16	A"	3205	2992	0.934	82	812
		18	A"	1556	1451	0.933	82	813
		21	A"	930	892	0.960	82	814
		24	A"	140	135	0.967	82	815
C4H9N	Pyrrolidine	1	A'	3560	3356	0.943	83	816
		3	A'	3152	2927	0.929	83	817
		6	A'	1594	1484	0.931	83	818
		9	A'	1368	1273	0.930	83	819
		12	A'	1112	974	0.876	83	820
		14	A'	981	901	0.918	83	821
		15	A'	940	871	0.926	83	822
		17	A'	799	789	0.988	83	823
		18	A'	599	579	0.966	83	824
		20	A"	3168	2967	0.937	83	825
		21	A"	3147	2916	0.927	83	826
		23	A"	3014	2818	0.935	83	827
		26	A"	1485	1341	0.903	83	828
		29	A"	1288	1203	0.934	83	829
		32	A"	1142	1023	0.896	83	830
		34	A"	899	848	0.943	83	831
		35	A"	645	600	0.930	83	832
C4H8O2	1,4-Dioxane	2	Ag	3065	2856	0.932	84	833
		5	Ag	1369	1305	0.953	84	834
		8	Ag	884	837	0.947	84	835
		10	Ag	434	424	0.977	84	836
		11	Au	3165	2970	0.938	84	837
		13	Au	1547	1449	0.937	84	838
		14	Au	1442	1369	0.950	84	839
		16	Au	1216	1136	0.934	84	840
		17	Au	1148	1086	0.946	84	841
		19	Au	262	288	1.101	84	842
		22	Bg	1544	1459	0.945	84	843
		25	Bg	1205	1110	0.921	84	844
		28	Bu	3168	2970	0.938	84	845
		30	Bu	1557	1457	0.935	84	846
		31	Bu	1457	1378	0.946	84	847
		33	Bu	1099	1052	0.957	84	848
		34	Bu	934	889	0.952	84	849
		36	Bu	284	274	0.963	84	850
CO2	Carbon dioxide	2	Σu	2493	2349	0.942	85	851
		3	Πu	672	667	0.993	85	852
C2Cl4	Tetrachloroethylene	2	Ag	468	447	0.955	86	853
		3	Ag	250	237	0.948	86	854
		5	B1u	815	777	0.954	86	855
		8	B2u	958	908	0.948	86	856
		11	B3g	358	347	0.969	86	857
C5H8	Cyclopentene	2	A'	3171	2958	0.933	87	858
		3	A'	3138	2916	0.929	87	859
		5	A'	3083	2852	0.925	87	860
		6	A'	1736	1616	0.931	87	861
		8	A'	1548	1449	0.936	87	862
		9	A'	1385	1302	0.940	87	863
		11	A'	1167	1213	1.040	87	864
		14	A'	942	962	1.021	87	865
		17	A'	617	603	0.978	87	866
		20	A"	3135	2967	0.946	87	867
		22	A"	1557	1467	0.942	87	868
		23	A"	1427	1432	1.004	87	869
		25	A"	1349	1302	0.965	87	870
		26	A"	1266	1297	1.024	87	871
		28	A"	1081	1113	1.030	87	872
		29	A"	966	1082	1.120	87	873
		31	A"	926	800	0.864	87	874
C2H5N	Aziridine	2	A'	3282	3079	0.938	88	875
		3	A'	3193	3015	0.944	88	876
		5	A'	1347	1237	0.918	88	877
		8	A'	1046	998	0.954	88	878
		11	A"	3270	3079	0.941	88	879
		14	A"	1321	1268	0.960	88	880
		16	A"	1147	1095	0.954	88	881
		17	A"	948	904	0.953	88	882
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	2	A1	1722	1587	0.922	89	883
		5	A1	174	173	0.997	89	884
		8	B1	739	697	0.943	89	885
		10	B2	1382	1303	0.943	89	886
		11	B2	904	857	0.948	89	887
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	2	Ag	1718	1578	0.919	90	888
		5	Ag	362	350	0.967	90	889
		8	Bg	795	763	0.960	90	890
		10	Bu	1285	1200	0.934	90	891
		11	Bu	868	828	0.954	90	892
C4H6	Bicyclo[1.1.0]butane	2	A1	3235	3044	0.941	91	893
		3	A1	3135	2935	0.936	91	894
		5	A1	1343	1266	0.943	91	895
		6	A1	1146	1081	0.943	91	896
		8	A1	708	657	0.928	91	897
		9	A1	437	423	0.967	91	898
		11	A2	1126	1063	0.944	91	899
		14	B1	3309	3120	0.943	91	900
		17	B1	1041	980	0.941	91	901
		20	B2	3140	2969	0.946	91	902
		22	B2	1378	1261	0.915	91	903
		23	B2	1146	1081	0.943	91	904
C5H8	Spiropentane	3	A1	1140	1160	1.018	92	905
		6	A2	3268	3070	0.940	92	906
		9	B1	3267	3066	0.939	92	907
		11	B1	1060	888	0.838	92	908
		12	B1	304	300	0.988	92	909
		14	B2	1661	1521	0.916	92	910
		15	B2	1491	1415	0.949	92	911
		17	B2	949	872	0.919	92	912
		18	E	3279	3067	0.935	92	913
		19	E	3188	2985	0.936	92	914
		22	E	1118	1049	0.938	92	915
		25	E	318	308	0.967	92	916
C8H8	cubane	1	A1g	3203	2995	0.935	93	917
		3	A2u	3170	2978	0.939	93	918
		4	A2u	1046	839	0.802	93	919
		6	Eg	947	912	0.963	93	920
		7	Eu	1143	1151	1.007	93	921
C4H8	cyclobutane	1	A1	3164	2951	0.933	94	922
		3	A1	1589	1468	0.924	94	923
		4	A1	1224	1153	0.942	94	924
		6	A1	234	199	0.849	94	925
		7	A2	1290	1260	0.976	94	926
		9	B1	1306	1231	0.942	94	927
		10	B1	1206	1142	0.947	94	928
		12	B2	3190	2973	0.932	94	929
		15	B2	934	883	0.946	94	930
		19	E	1549	1441	0.931	94	931
		20	E	1342	1252	0.933	94	932
		22	E	953	893	0.937	94	933
		23	E	784	746	0.950	94	934
C3H6S	Thietane	1	A'	3213	2994	0.932	95	935
		2	A'	3179	2972	0.935	95	936
		4	A'	3126	2903	0.929	95	937
		5	A'	1577	1470	0.932	95	938
		7	A'	1318	1224	0.929	95	939
		8	A'	1245	1183	0.950	95	940
		10	A'	984	933	0.949	95	941
		13	A'	555	529	0.954	95	942
		16	A"	3147	2950	0.937	95	943
		19	A"	1298	1229	0.947	95	944
		22	A"	1022	986	0.965	95	945
		24	A"	719	677	0.942	95	946
C3H4N2	1H-Pyrazole	1	A'	3736	3523	0.943	96	947
		2	A'	3340	3155	0.945	96	948
		4	A'	3310	3126	0.944	96	949
		5	A'	1629	1531	0.940	96	950
		7	A'	1488	1395	0.938	96	951
		10	A'	1227	1159	0.944	96	952
		13	A'	1090	1009	0.925	96	953
		16	A"	862	879	1.020	96	954
		18	A"	752	745	0.991	96	955
		19	A"	700	674	0.963	96	956
		21	A"	510	516	1.013	96	957
C3H3NO	Isoxazole	3	A'	3314	3086	0.931	97	958
		6	A'	1450	1432	0.987	97	959
		8	A'	1211	1217	1.005	97	960
		9	A'	1157	1128	0.975	97	961
		11	A'	983	1021	1.039	97	962
		12	A'	942	856	0.908	97	963
		14	A"	885	1033	1.168	97	964
		15	A"	851	889	1.044	97	965
		17	A"	646	632	0.978	97	966
C3H4N2	1H-Imidazole	1	A'	3728	3517	0.943	98	967
		3	A'	3318	3123	0.941	98	968
		4	A'	3315	3110	0.938	98	969
		6	A'	1570	1404	0.894	98	970
		7	A'	1510	1328	0.880	98	971
		9	A'	1322	1188	0.898	98	972
		10	A'	1196	1098	0.918	98	973
		12	A'	1139	1013	0.889	98	974
		15	A'	924	898	0.972	98	975
		18	A"	715	674	0.942	98	976
		21	A"	494	539	1.091	98	977
C3H3NO	Oxazole	1	A'	3369	3170	0.941	99	978
		3	A'	3334	3141	0.942	99	979
		4	A'	1653	1537	0.930	99	980
		6	A'	1413	1324	0.937	99	981
		7	A'	1316	1252	0.951	99	982
		9	A'	1158	1086	0.938	99	983
		10	A'	1146	1078	0.940	99	984
		12	A'	947	899	0.950	99	985
		15	A"	838	830	0.991	99	986
		18	A"	621	607	0.977	99	987
C2H3N3	1H-1,2,4-Triazole	2	A'	3335	3140	0.941	100	988
		3	A'	3331	3110	0.934	100	989
		5	A'	1542	1495	0.969	100	990
		6	A'	1452	1473	1.015	100	991
		8	A'	1316	1280	0.973	100	992
		9	A'	1224	1190	0.972	100	993
		11	A'	1130	1070	0.947	100	994
		12	A'	1011	965	0.954	100	995
		14	A"	902	990	1.098	100	996
		17	A"	693	660	0.952	100	997
CH2N4	1H-Tetrazole	2	A'	3361	3102	0.923	101	998
		3	A'	1575	1441	0.915	101	999
		5	A'	1359	1259	0.927	101	1000
		8	A'	1132	1015	0.897	101	1001
		11	A'	1004	925	0.922	101	1002
		14	A"	701	658	0.939	101	1003
C4H4N2	Pyridazine	1	A1	3275	3063	0.935	102	1004
		3	A1	1677	1572	0.938	102	1005
		6	A1	1193	1160	0.973	102	1006
		9	A1	692	619	0.895	102	1007
		12	A2	710	751	1.058	102	1008
		14	B1	958			102	1009
		15	B1	770	760	0.987	102	1010
		17	B2	3264	3075	0.942	102	1011
		18	B2	3248	3043	0.937	102	1012
		20	B2	1484	1444	0.973	102	1013
		21	B2	1354	1239	0.915	102	1014
		23	B2	1077	1009	0.937	102	1015
C4H4N2	1,3-Diazine	1	A1	3276	3082	0.941	103	1016
		4	A1	1681	1572	0.935	103	1017
		6	A1	1194	1155	0.967	103	1018
		7	A1	1107	1065	0.962	103	1019
		9	A1	705	679	0.964	103	1020
		10	A2	1001	960	0.959	103	1021
		12	B1	1017	1033	1.015	103	1022
		13	B1	954	980	1.028	103	1023
		15	B1	735	719	0.979	103	1024
		18	B2	1688	1569	0.929	103	1025
		21	B2	1289	1224	0.950	103	1026
		24	B2	642	621	0.967	103	1027
C4H4N2	Pyrazine	1	Ag	3260	3055	0.937	104	1028
		4	Ag	1069	1016	0.951	104	1029
		6	Au	980	960	0.980	104	1030
		7	Au	366	350	0.956	104	1031
		9	B1u	3240	3012	0.930	104	1032
		10	B1u	1566	1483	0.947	104	1033
		12	B1u	1058	1018	0.962	104	1034
		13	B2g	961	983	1.023	104	1035
		15	B2u	3255	3069	0.943	104	1036
		18	B2u	1128	1063	0.942	104	1037
		21	B3g	1409	1346	0.955	104	1038
		24	B3u	433	418	0.966	104	1039
C3H3N3	1,3,5-Triazine	1	A1'	3260	3042	0.933	105	1040
		2	A1'	1176	1132	0.962	105	1041
		4	A2'	1442	1278	0.886	105	1042
		5	A2'	1118	1068	0.955	105	1043
		7	A2"	769	737	0.959	105	1044
		8	E'	3257	3056	0.938	105	1045
		9	E'	1682	1555	0.925	105	1046
		12	E'	703	657	0.935	105	1047
N2H4	Hydrazine	1	A	3614	3398	0.940	106	1048
		2	A	3506	3329	0.949	106	1049
		4	A	1389	1275	0.918	106	1050
		7	A	421	377	0.894	106	1051
		10	B	1746	1628	0.933	106	1052
C2H5SC2H5	Diethyl sulfide	1	A1	3186	2967	0.931	107	1053
		2	A1	3110	2874	0.924	107	1054
		4	A1	1566	1450	0.926	107	1055
		5	A1	1558	1427	0.916	107	1056
		7	A1	1388	1270	0.915	107	1057
		8	A1	1143	1047	0.916	107	1058
		10	A1	736	657	0.893	107	1059
		13	A2	3195	2967	0.929	107	1060
		16	A2	1313			107	1061
		19	A2	258			107	1062
		22	B1	3154	2930	0.929	107	1063
		24	B1	1319	1242	0.942	107	1064
		25	B1	1113			107	1065
		27	B1	254			107	1066
		28	B1	56			107	1067
		30	B2	3111	2874	0.924	107	1068
		31	B2	3108	2853	0.918	107	1069
		33	B2	1551	1427	0.920	107	1070
		36	B2	1095	1017	0.929	107	1071
		39	B2	349	345	0.988	107	1072
CF2O	Carbonic difluoride	2	A1	1011	965	0.955	108	1073
		5	B2	1351	1249	0.924	108	1074
CF3CN	Acetonitrile, trifluoro-	2	A1	1309	1227	0.937	109	1075
		3	A1	834	802	0.962	109	1076
		5	E	1320	1214	0.920	109	1077
		8	E	189	196	1.035	109	1078
C2H4S	Thiirane	2	A1	1566	1457	0.930	110	1079
		5	A1	682	627	0.919	110	1080
		11	B1	870	824	0.947	110	1081
		14	B2	1132	1051	0.929	110	1082
CH3CF3	Ethane, 1,1,1-trifluoro-	1	A1	3140	2974	0.947	111	1083
		3	A1	1357	1278	0.942	111	1084
		6	A2	256	225	0.879	111	1085
		8	E	1544	1450	0.939	111	1086
		11	E	546	540	0.989	111	1087
		12	E	370	365	0.985	111	1088
C4H2	Diacetylene	2	Σg	2363	2184	0.924	112	1089
		4	Σu	3533	3329	0.942	112	1090
		5	Σu	2175	2020	0.929	112	1091
		7	Πg	313	482	1.538	112	1092
		8	Πu	519	630	1.213	112	1093
C2N2	Cyanogen	1	Σg	2543	2330	0.916	113	1094
		3	Σu	2352	2158	0.918	113	1095
		4	Πg	519	503	0.969	113	1096
		5	Πu	243	234	0.964	113	1097
CH2CCH2	allene	1	A1	3209	3015	0.939	114	1098
		4	B1	901	865	0.960	114	1099
		7	B2	1482	1398	0.943	114	1100
		9	E	1057	999	0.945	114	1101
		10	E	884	841	0.951	114	1102
CH2CO	Ketene	1	A1	3267	3070	0.940	115	1103
		2	A1	2293	2152	0.939	115	1104
		4	A1	1204	1118	0.928	115	1105
		5	B1	615	588	0.956	115	1106
		7	B2	3367	3166	0.940	115	1107
		8	B2	1035	977	0.944	115	1108
OCS	Carbonyl sulfide	1	Σ	2205	2062	0.935	116	1109
		3	Π	514	520	1.012	116	1110
C5H12	Propane, 2,2-dimethyl-	3	A1	760	733	0.965	117	1111
		7	E	1123	999	0.889	117	1112
		8	E	342	335	0.979	117	1113
		15	T2	1577	1475	0.935	117	1114
		16	T2	1461	1372	0.939	117	1115
		17	T2	1339	1256	0.938	117	1116
		18	T2	973	925	0.951	117	1117
		19	T2	430	418	0.973	117	1118
C6H6	Fulvene	1	A1	3297	3088	0.937	118	1119
		2	A1	3274	3051	0.932	118	1120
		4	A1	1764	1632	0.925	118	1121
		5	A1	1607	1486	0.925	118	1122
		7	A1	1415	1342	0.948	118	1123
		8	A1	1143	1082	0.947	118	1124
		10	A1	931	894	0.960	118	1125
		11	A1	688	641	0.932	118	1126
		13	A2	781			118	1127
		16	B1	930	926	0.996	118	1128
		19	B1	613	613	1.001	118	1129
		22	B2	3290	3104	0.944	118	1130
		24	B2	1680	1550	0.922	118	1131
		25	B2	1394	1314	0.943	118	1132
		27	B2	1143	1077	0.942	118	1133
		28	B2	988	952	0.963	118	1134
		30	B2	345	350	1.015	118	1135
CH3CCCH3	2-Butyne	1	A1'	3103	2916	0.940	119	1136
		2	A1'	2441	2240	0.918	119	1137
		4	A1'	742	725	0.977	119	1138
		7	A2"	1472	1382	0.939	119	1139
		8	A2"	1201	1152	0.960	119	1140
		11	E'	1093	1054	0.964	119	1141
		14	E"	1544	1448	0.938	119	1142
		15	E"	1057	1029	0.974	119	1143
ClCN	chlorocyanogen	1	Σ	2413	2216	0.918	120	1144
		2	Σ	767	744	0.970	120	1145
C5H10	2-Butene, 2-methyl-	2	A'	3198	2972	0.929	121	1146
		3	A'	3185	2972	0.933	121	1147
		5	A'	3095	2931	0.947	121	1148
		6	A'	3090	2908	0.941	121	1149
		8	A'	1812	1681	0.928	121	1150
		11	A'	1547	1453	0.939	121	1151
		25	A"	3151	2972	0.943	121	1152
		26	A"	3146	2972	0.945	121	1153
		28	A"	1552	1471	0.948	121	1154
		29	A"	1544	1471	0.953	121	1155
C5H6	1,3-Cyclopentadiene	3	A1	3090	2886	0.934	122	1156
		6	A1	1450	1365	0.941	122	1157
		8	A1	1043	994	0.953	122	1158
		9	A1	958	915	0.955	122	1159
		11	A2	1164	1100	0.945	122	1160
		12	A2	905	941	1.039	122	1161
		14	A2	509	516	1.014	122	1162
		15	B1	3126	2900	0.928	122	1163
		17	B1	936	891	0.952	122	1164
		20	B2	3284	3105	0.945	122	1165
		23	B2	1365	1292	0.947	122	1166
		26	B2	1008	959	0.951	122	1167
CH3COF	Acetyl fluoride	1	A'	3249	3043	0.937	123	1168
		4	A'	1532	1440	0.940	123	1169
		7	A'	1057	1000	0.946	123	1170
		10	A'	420	420	1.000	123	1171
		13	A"	1111	1054	0.949	123	1172
		15	A"	145	123	0.850	123	1173
CH2CHCHClCH3	1-Butene, 3-chloro-	3	A	3209	3011	0.938	124	1174
		5	A	3191	2974	0.932	124	1175
		6	A	3164	2967	0.938	124	1176
		8	A	1766	1645	0.932	124	1177
		9	A	1554	1452	0.935	124	1178
		11	A	1507	1424	0.945	124	1179
		12	A	1473	1375	0.934	124	1180
		14	A	1355	1283	0.947	124	1181
		15	A	1326	1233	0.930	124	1182
		17	A	1155	1090	0.944	124	1183
		20	A	1013	966	0.954	124	1184
		23	A	751	708	0.943	124	1185
		26	A	332	319	0.960	124	1186
		28	A	293	283	0.967	124	1187
		29	A	265	245	0.924	124	1188
CH3CHCHCH3	2-Butene, (Z)-	3	A1	3098	2878	0.929	125	1189
		6	A1	1483	1397	0.942	125	1190
		8	A1	1062	986	0.928	125	1191
		9	A1	899	880	0.978	125	1192
		11	A2	3154	2988	0.947	125	1193
		12	A2	1543	1464	0.949	125	1194
		14	A2	1006	880	0.875	125	1195
		15	A2	388	396	1.021	125	1196
		17	B1	3154	2965	0.940	125	1197
		20	B1	711	673	0.946	125	1198
		23	B2	3184	2965	0.931	125	1199
		26	B2	1495	1420	0.950	125	1200
		28	B2	1192	1135	0.952	125	1201
		29	B2	1018	986	0.969	125	1202
CH2CCHCH3	1,2-Butadiene	1	A'	3205	3061	0.955	126	1203
		3	A'	3191	2965	0.929	126	1204
		4	A'	3099	2905	0.937	126	1205
		6	A'	1563	1453	0.930	126	1206
		9	A'	1416	1330	0.940	126	1207
		12	A'	910	876	0.962	126	1208
		15	A'	210	210	0.998	126	1209
		17	A"	3165	2965	0.937	126	1210
		18	A"	1544	1453	0.941	126	1211
		20	A"	1059	1011	0.955	126	1212
		21	A"	915	842	0.920	126	1213
		23	A"	337	322	0.955	126	1214
C6H10	1,5-Hexadiene	2	Ag	3219	3005	0.933	127	1215
		5	Ag	1769	1642	0.928	127	1216
		8	Ag	1480	1334	0.901	127	1217
		10	Ag	1184	1187	1.003	127	1218
		11	Ag	1036	1025	0.989	127	1219
		13	Ag	588	402	0.683	127	1220
		14	Ag	278	351	1.261	127	1221
		16	Au	1240	1212	0.978	127	1222
		17	Au	1046	995	0.951	127	1223
		19	Au	821	774	0.943	127	1224
		28	Bg	572	614	1.074	127	1225
		30	Bu	3296	3080	0.934	127	1226
		31	Bu	3220	2995	0.930	127	1227
		33	Bu	3083	2835	0.919	127	1228
		34	Bu	1762	1642	0.932	127	1229
		36	Bu	1498	1419	0.947	127	1230
CH3F	Methyl fluoride	1	A1	3110	2930	0.942	128	1231
		2	A1	1553	1464	0.942	128	1232
		4	E	3200	3006	0.939	128	1233
CH3PH2	Methyl phosphine	2	A'	3120	2938	0.942	129	1234
		5	A'	1413	1238	0.876	129	1235
		7	A'	1042	977	0.937	129	1236
		8	A'	769	740	0.963	129	1237
		10	A"	3204	2992	0.934	129	1238
		11	A"	2469	2312	0.936	129	1239
		13	A"	1075	1017	0.946	129	1240
C5H8	1,2-Butadiene, 3-methyl-	1	A1	3198	2987	0.934	130	1241
		3	A1	3091	2916	0.943	130	1242
		4	A1	2113	1996	0.945	130	1243
		6	A1	1531	1438	0.940	130	1244
		7	A1	1475	1369	0.928	130	1245
		9	A1	1058	973	0.920	130	1246
		10	A1	758	726	0.957	130	1247
		12	A2	3151	2941	0.933	130	1248
		15	A2	630	617	0.979	130	1249
		18	B1	3153	2941	0.933	130	1250
		21	B1	1060	1004	0.947	130	1251
		26	B2	3088	2916	0.944	130	1252
		27	B2	1548	1470	0.949	130	1253
		29	B2	1271	1191	0.937	130	1254
		30	B2	1003	968	0.965	130	1255
		32	B2	607	554	0.912	130	1256
		33	B2	183	187	1.023	130	1257
CH3NO3	Methyl nitrate	1	A'	3252	3008	0.925	131	1258
		4	A'	1557	1468	0.943	131	1259
		7	A'	1238	1176	0.950	131	1260
		10	A'	714	657	0.921	131	1261
		13	A"	3235	3008	0.930	131	1262
		15	A"	1207	1136	0.941	131	1263
		16	A"	792	758	0.957	131	1264
		18	A"	139			131	1265
C5H6S	Thiophene, 3-methyl-	2	A'	3305	3104	0.939	132	1266
		5	A'	3099	2923	0.943	132	1267
		7	A'	1560	1447	0.928	132	1268
		8	A'	1525	1407	0.923	132	1269
		10	A'	1459	1373	0.941	132	1270
		11	A'	1302	1234	0.948	132	1271
		13	A'	1148	1080	0.941	132	1272
		14	A'	1045	993	0.951	132	1273
		16	A'	897	857	0.956	132	1274
		17	A'	865	830	0.960	132	1275
		19	A'	557	542	0.974	132	1276
		22	A"	1543	1452	0.941	132	1277
		25	A"	765	762	0.995	132	1278
		28	A"	453	464	1.024	132	1279
		30	A"	111			132	1280
CH3CHCHCH3	2-Butene, (E)-	3	Ag	3091	2874	0.930	133	1281
		5	Ag	1554	1457	0.937	133	1282
		6	Ag	1477	1385	0.938	133	1283
		8	Ag	1207	1146	0.950	133	1284
		9	Ag	908	866	0.954	133	1285
		11	Au	3154	2960	0.938	133	1286
		12	Au	1541	1449	0.941	133	1287
		14	Au	1013	964	0.952	133	1288
		17	Bg	3154	2954	0.937	133	1289
		20	Bg	755	750	0.994	133	1290
		23	Bu	3174	2960	0.933	133	1291
		25	Bu	1560	1449	0.929	133	1292
		26	Bu	1477	1393	0.943	133	1293
		28	Bu	1121	1072	0.957	133	1294
		29	Bu	1021	987	0.966	133	1295
CH3SCH2CH3	Ethane, (methylthio)-	2	A'	3187	2957	0.928	134	1296
		3	A'	3112	2920	0.938	134	1297
		5	A'	3108	2830	0.910	134	1298
		8	A'	1545	1427	0.924	134	1299
		11	A'	1372	1262	0.920	134	1300
		14	A'	1015	968	0.954	134	1301
		16	A'	721	654	0.907	134	1302
		17	A'	361	353	0.979	134	1303
		19	A"	3196	2991	0.936	134	1304
		20	A"	3194	2957	0.926	134	1305
		22	A"	1553	1449	0.933	134	1306
		23	A"	1528	1435	0.939	134	1307
		25	A"	1104			134	1308
		28	A"	256			134	1309
CH3ONO	Methyl nitrite	3	A'	1766	1613	0.914	135	1310
		6	A'	1238	1239	1.000	135	1311
		8	A'	929	838	0.902	135	1312
		9	A'	784	627	0.800	135	1313
		11	A"	3210	2991	0.932	135	1314
		12	A"	1542	1438	0.933	135	1315
		14	A"	358			135	1316
		15	A"	237	186	0.784	135	1317
CH3SSCH3	Disulfide, dimethyl	1	A	3224	2990	0.927	136	1318
		3	A	3120	2913	0.934	136	1319
		4	A	1538	1426	0.927	136	1320
		6	A	1438	1311	0.912	136	1321
		7	A	1033	955	0.924	136	1322
		9	A	749	694	0.927	136	1323
		10	A	524	509	0.972	136	1324
		12	A	158	134	0.849	136	1325
		15	B	3209	2983	0.930	136	1326
		18	B	1517	1415	0.933	136	1327
		21	B	1024	949	0.926	136	1328
		23	B	272	274	1.009	136	1329
		24	B	169	134	0.791	136	1330
CO	Carbon monoxide	1	Σ	2305	2170	0.941	137	1331
		1	Σ	2305	1743	0.756	137	1332
C6H10	2-Hexyne	1	A'	3179	2972	0.935	138	1333
		3	A'	3110	2931	0.943	138	1334
		4	A'	3102	2919	0.941	138	1335
		6	A'	3084	2880	0.934	138	1336
		7	A'	2436	2188	0.898	138	1337
		9	A'	1555	1447	0.930	138	1338
		10	A'	1545	1435	0.929	138	1339
		12	A'	1476	1390	0.942	138	1340
		15	A'	1347	1282	0.952	138	1341
		18	A'	1091	1036	0.950	138	1342
		21	A'	783	739	0.943	138	1343
		23	A'	328	359	1.095	138	1344
		24	A'	230	272	1.185	138	1345
		26	A"	3178	2972	0.935	138	1346
		27	A"	3175	2995	0.943	138	1347
		29	A"	3119	2937	0.942	138	1348
		30	A"	1559	1453	0.932	138	1349
		32	A"	1364	1394	1.022	138	1350
		35	A"	1074	1032	0.961	138	1351
		38	A"	278	392	1.408	138	1352
		41	A"	83	88	1.059	138	1353
C3H7N	Cyclopropylamine	3	A'	3212	3032	0.944	139	1354
		6	A'	1575	1456	0.924	139	1355
		8	A'	1289	1214	0.942	139	1356
		9	A'	1221	1168	0.957	139	1357
		11	A'	1056	1020	0.966	139	1358
		12	A'	915	989	1.081	139	1359
		14	A'	804	762	0.948	139	1360
		15	A'	421	408	0.968	139	1361
		17	A"	3291	3100	0.942	139	1362
		20	A"	1321	1104	0.836	139	1363
		23	A"	1117	940	0.842	139	1364
		26	A"	410	396	0.966	139	1365
C6H8	1,3,5-Hexatriene, (E)-	1	Ag	3298	3085	0.936	140	1366
		2	Ag	3213	3054	0.950	140	1367
		4	Ag	3193	2989	0.936	140	1368
		5	Ag	1777	1627	0.915	140	1369
		7	Ag	1480	1400	0.946	140	1370
		10	Ag	1256	1192	0.949	140	1371
		13	Ag	356	355	0.998	140	1372
		16	Au	921	901	0.979	140	1373
		19	Au	92	90	0.980	140	1374
		21	Bg	921	928	1.008	140	1375
		22	Bg	873	872	0.999	140	1376
		24	Bg	195	217	1.115	140	1377
		25	Bu	3298	3099	0.940	140	1378
		27	Bu	3204	3019	0.942	140	1379
		28	Bu	3194	2953	0.925	140	1380
		30	Bu	1512	1432	0.947	140	1381
		33	Bu	1186	1186	1.000	140	1382
		36	Bu	149	170	1.139	140	1383
C4H6	Cyclobutene	3	A1	1688	1570	0.930	141	1384
		6	A1	1174	1186	1.011	141	1385
		9	A2	3155	2955	0.937	141	1386
		11	A2	1072	1081	1.008	141	1387
		12	A2	914	850	0.930	141	1388
		14	B1	3169	2955	0.933	141	1389
		15	B1	1134	1074	0.947	141	1390
		17	B1	662	635	0.960	141	1391
		18	B2	3244	3047	0.939	141	1392
		20	B2	1536	1427	0.929	141	1393
		21	B2	1369	1294	0.945	141	1394
		23	B2	936	888	0.948	141	1395
H2CS	Thioformaldehyde	1	A1	3169	2971	0.937	142	1396
		3	A1	1135	1059	0.933	142	1397
		4	B1	1042	990	0.951	142	1398
		6	B2	1056	991	0.939	142	1399
CH3SiH3	methyl silane	2	A1	2281	2166	0.950	143	1400
		3	A1	1377	1260	0.915	143	1401
		5	A1	714	700	0.980	143	1402
		9	E	1524	1403	0.921	143	1403
		12	E	535	540	1.010	143	1404
C4N2	2-Butynedinitrile	1	Σg	2512	2290	0.912	144	1405
		3	Σg	618	692	1.119	144	1406
		4	Σu	2451	2241	0.914	144	1407
		6	Πg	484	504	1.041	144	1408
		9	Πu	119	107	0.900	144	1409
BeO	beryllium oxide	1	Σ	1667	1457	0.874	145	1410
LiOH	lithium hydroxide	1	Σ	4007	3688	0.920	146	1411
		3	Π	291	257	0.881	146	1412
NaOH	sodium hydroxide	2	Σ	616	540	0.877	147	1413
H2	Hydrogen diatomic	1	Σg	4459	4401	0.987	148	1414
CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	1	A	3212	2971	0.925	149	1415
		3	A	3192	2971	0.931	149	1416
		4	A	3190	2971	0.931	149	1417
		6	A	3173	2971	0.936	149	1418
		9	A	3102	2867	0.924	149	1419
		12	A	1560	1448	0.928	149	1420
		15	A	1542	1448	0.939	149	1421
		17	A	1481	1386	0.936	149	1422
		18	A	1466	1364	0.930	149	1423
		20	A	1400	1315	0.940	149	1424
		21	A	1351	1244	0.921	149	1425
		23	A	1183	1110	0.938	149	1426
		24	A	1125	1058	0.941	149	1427
		26	A	1020	954	0.936	149	1428
		29	A	935	882	0.943	149	1429
		32	A	440	427	0.970	149	1430
		35	A	265			149	1431
		37	A	221	215	0.974	149	1432
		38	A	164			149	1433
Si2H6	disilane	2	A1g	951	909	0.955	150	1434
		5	A2u	2268	2154	0.950	150	1435
		9	Eg	656	625	0.953	150	1436
		10	Eu	2292	2179	0.951	150	1437
		12	Eu	381	379	0.996	150	1438
CCl2	dichloromethylene	1	A1	770	730	0.948	151	1439
C5H10S	2H-Thiopyran, tetrahydro-	1	A'	3173	2948	0.929	152	1440
		2	A'	3146	2929	0.931	152	1441
		4	A'	3106	2904	0.935	152	1442
		7	A'	1562	1451	0.929	152	1443
		10	A'	1439	1348	0.937	152	1444
		13	A'	1290	1215	0.942	152	1445
		15	A'	1068	965	0.903	152	1446
		16	A'	1017	897	0.882	152	1447
		18	A'	853	813	0.953	152	1448
		19	A'	694	656	0.945	152	1449
		21	A'	372	359	0.966	152	1450
		22	A'	357	344	0.965	152	1451
		24	A"	3173	2948	0.929	152	1452
		27	A"	3092	2878	0.931	152	1453
		30	A"	1444	1338	0.927	152	1454
		33	A"	1331	1259	0.946	152	1455
		35	A"	1145	1090	0.952	152	1456
		36	A"	1134	1013	0.893	152	1457
		38	A"	948	905	0.954	152	1458
		39	A"	832	791	0.950	152	1459
		41	A"	406	398	0.981	152	1460
		42	A"	245	242	0.988	152	1461
C5H8	1,3-Pentadiene, (E)-	1	A'	3296	3090	0.938	153	1462
		2	A'	3212	3015	0.939	153	1463
		4	A'	3195	3015	0.944	153	1464
		7	A'	3090	2919	0.945	153	1465
		10	A'	1554	1433	0.922	153	1466
		13	A'	1377	1316	0.956	153	1467
		15	A'	1339	1280	0.956	153	1468
		16	A'	1244	1166	0.937	153	1469
		18	A'	1019	985	0.967	153	1470
		19	A'	937	862	0.920	153	1471
		21	A'	461	418	0.906	153	1472
		22	A'	200	212	1.058	153	1473
		24	A"	1539	1453	0.944	153	1474
		25	A"	1100	1017	0.925	153	1475
		27	A"	990	912	0.922	153	1476
		30	A"	642	615	0.957	153	1477
CH2NH	Methanimine	2	A'	3229	3024	0.937	154	1478
		3	A'	3123	2914	0.933	154	1479
		5	A'	1539	1452	0.943	154	1480
		6	A'	1425	1344	0.944	154	1481
		8	A"	1195	1127	0.943	154	1482
CN	Cyano radical	1	Σ	2681	2069	0.772	155	1483
CF2	Difluoromethylene	3	B2	1211	1114	0.920	156	1484
		3	B2	1386	1114	0.804	156	1485
CF3	Trifluoromethyl radical	1	A1	1141	1089	0.955	157	1486
C4H9N	Cyclobutylamine	2	A'	3204	2975	0.929	158	1487
		5	A'	3122	2905	0.931	158	1488
		8	A'	1569	1467	0.935	158	1489
		11	A'	1342	1291	0.962	158	1490
		13	A'	1207	1137	0.942	158	1491
		14	A'	1129	1120	0.992	158	1492
		16	A'	936	965	1.030	158	1493
		17	A'	918	788	0.859	158	1494
		19	A'	694	606	0.874	158	1495
		20	A'	418	448	1.073	158	1496
		22	A"	3601	3411	0.947	158	1497
		25	A"	1534	1452	0.946	158	1498
		28	A"	1298	1168	0.900	158	1499
		31	A"	1065	925	0.869	158	1500
		34	A"	802	788	0.983	158	1501
		36	A"	296	240	0.812	158	1502
SF6	Sulfur Hexafluoride	1	A1g	774	774	0.999	159	1503
HCO	Formyl radical	2	A'	2065	1868	0.905	160	1504
ClNO	Nitrosyl chloride	2	A'	640	596	0.931	161	1505
		3	A'	346	332	0.959	161	1506
C3H4	cyclopropene	2	A1	3129	2909	0.930	162	1507
		5	A1	1215	1110	0.914	162	1508
		8	A2	838	820	0.979	162	1509
		11	B1	583	569	0.976	162	1510
		13	B2	1121	1043	0.931	162	1511
		14	B2	1081	1011	0.935	162	1512
C4H8O	Cyclobutanol	2	A'	3194	2993	0.937	163	1513
		5	A'	3134	2943	0.939	163	1514
		7	A'	1578	1469	0.931	163	1515
		8	A'	1552	1450	0.934	163	1516
		10	A'	1385	1278	0.923	163	1517
		11	A'	1315	1241	0.944	163	1518
		13	A'	1200	1097	0.914	163	1519
		14	A'	1124	1071	0.953	163	1520
		16	A'	943	825	0.875	163	1521
		19	A'	474	457	0.965	163	1522
		22	A"	3106	2964	0.954	163	1523
		25	A"	1297	1199	0.925	163	1524
		27	A"	1226	1029	0.839	163	1525
		28	A"	1083	958	0.885	163	1526
		30	A"	958	902	0.941	163	1527
		31	A"	816	781	0.957	163	1528
		33	A"	315	243	0.771	163	1529
C3H3	Propargyl radical	1	A1	3561	3322	0.933	164	1530
		7	B1	554	490	0.884	164	1531
HO2	Hydroperoxy radical	1	A'	3669	3436	0.937	165	1532
		3	A'	1198	1098	0.916	165	1533
CH	Methylidyne	1	Σ	2882	2861	0.993	166	1534
		1	Σ	3234	2861	0.885	166	1535
		1	Σ	2882	3145	1.091	166	1536
		1	Σ	3234	3145	0.972	166	1537
		1	Σ	2882	2931	1.017	166	1538
		1	Σ	3234	2931	0.906	166	1539
OH	Hydroxyl radical	1	Σ	3712	3738	1.007	167	1540
NF2	Difluoroamino radical	2	A1	587	573	0.976	168	1541
CCl	carbon monochloride	1	Σ	888	877	0.988	169	1542
SiH2Cl2	dichlorosilane	2	A1	984	954	0.970	170	1543
		5	A2	738	710	0.962	170	1544
		8	B2	916	876	0.956	170	1545
CHOCHCHCH3	2-Butenal	2	A'	3197	2995	0.937	171	1546
		3	A'	3183	2963	0.931	171	1547
		5	A'	2995	2805	0.936	171	1548
		6	A'	1869	1720	0.920	171	1549
		8	A'	1548	1455	0.940	171	1550
		11	A'	1370	1304	0.952	171	1551
		14	A'	1132	1074	0.949	171	1552
		17	A'	470	464	0.986	171	1553
		19	A"	3163	2980	0.942	171	1554
		20	A"	1538	1455	0.946	171	1555
		22	A"	1038	973	0.937	171	1556
		23	A"	1013	928	0.916	171	1557
		25	A"	285	295	1.036	171	1558
		26	A"	194	173	0.893	171	1559
C4H5N	Cyclopropanecarbonitrile	1	A'	3312	3120	0.942	172	1560
		3	A'	3221	3044	0.945	172	1561
		4	A'	2445	2264	0.926	172	1562
		6	A'	1439	1344	0.934	172	1563
		7	A'	1263	1195	0.946	172	1564
		9	A'	1127	1049	0.931	172	1565
		12	A'	784	736	0.939	172	1566
		15	A"	3300	3094	0.937	172	1567
		18	A"	1242	1180	0.950	172	1568
		20	A"	1133	1088	0.960	172	1569
		21	A"	964	880	0.913	172	1570
		23	A"	550	543	0.988	172	1571
		24	A"	216	222	1.026	172	1572
C4H6	Methylenecyclopropane	2	A1	3187	3002	0.942	173	1573
		5	A1	1495	1410	0.943	173	1574
		8	A1	772	723	0.936	173	1575
		11	A2	988	937	0.948	173	1576
		13	B1	3271	3071	0.939	173	1577
		14	B1	1136	1072	0.943	173	1578
		16	B1	786	748	0.952	173	1579
		17	B1	285	360	1.264	173	1580
		19	B2	3184	2999	0.942	173	1581
		20	B2	1510	1353	0.896	173	1582
		22	B2	1116	1125	1.008	173	1583
C5H12S	Propane, 2-methyl-2-(methylthio)-	1	A'	3209	2967	0.924	174	1584
		2	A'	3193	2967	0.929	174	1585
		4	A'	3171	2967	0.936	174	1586
		7	A'	3095	2875	0.929	174	1587
		10	A'	1550	1445	0.932	174	1588
		13	A'	1463	1364	0.933	174	1589
		15	A'	1304	1210	0.928	174	1590
		16	A'	1259	1161	0.922	174	1591
		18	A'	1022			174	1592
		19	A'	982	932	0.949	174	1593
		21	A'	768	722	0.941	174	1594
		22	A'	617	588	0.953	174	1595
		24	A'	380	367	0.966	174	1596
		27	A'	235	226	0.962	174	1597
		30	A"	3186	2967	0.931	174	1598
		33	A"	1564	1460	0.933	174	1599
		35	A"	1539	1445	0.939	174	1600
		36	A"	1527	1435	0.940	174	1601
		38	A"	1299	1181	0.909	174	1602
		39	A"	1079	1026	0.951	174	1603
		41	A"	999	952	0.953	174	1604
		42	A"	975	932	0.955	174	1605
		44	A"	319	305	0.956	174	1606
		45	A"	285			174	1607
		47	A"	180			174	1608
HCP	HCP	1	Σ	3442	3217	0.935	175	1609
		3	Π	723	674	0.932	175	1610
HNC	hydrogen isocyanide	1	Σ	3900	3653	0.937	176	1611
		2	Σ	2180	2029	0.931	176	1612
SO2	Sulfur dioxide	2	A1	533	518	0.971	177	1613
		3	B2	1447	1362	0.941	177	1614
SO3	Sulfur trioxide	2	A2"	488	498	1.020	178	1615
		4	E'	528	530	1.003	178	1616
AlCl3	Aluminum trichloride	1	A1'	397	375	0.945	179	1617
		2	A2"	209	183	0.875	179	1618
		4	E'	154	150	0.975	179	1619
LiCl	lithium chloride	1	Σ	638	643	1.007	180	1620
C2Cl2	dichloroacetylene	3	Σu	1019	988	0.970	181	1621
		5	Πu	174	172	0.988	181	1622
LiH	Lithium Hydride	1	Σ	1375	1405	1.022	182	1623
ClFO3	Perchloryl fluoride	1	A1	1084	1061	0.979	183	1624
		3	A1	538	549	1.020	183	1625
		5	E	574	589	1.025	183	1626
SiO2	silicon dioxide	3	Πu	287	273	0.948	184	1627
BF3	Borane, trifluoro-	2	A2"	710	691	0.973	185	1628
		4	E'	488	480	0.985	185	1629
HCl	Hydrogen chloride	1	Σ	3018	2991	0.991	186	1630
NaCl	Sodium Chloride	1	Σ	372	365	0.981	187	1631
PF5	Phosphorus pentafluoride	1	A1'	822	816	0.993	188	1632
		3	A2"	1037	947	0.914	188	1633
		4	A2"	563	575	1.021	188	1634
		7	E'	185	174	0.942	188	1635
NH3	Ammonia	3	E	3646	3444	0.945	189	1636
H2SO4	Sulfuric acid	3	A	1230	1136	0.924	190	1637
		5	A	551	548	0.994	190	1638
		6	A	439	422	0.961	190	1639
		8	A	245	224	0.915	190	1640
		9	B	3769	3567	0.946	190	1641
		11	B	1243	1157	0.931	190	1642
		12	B	912	882	0.967	190	1643
		14	B	494	506	1.024	190	1644
		15	B	325	288	0.886	190	1645
MgH2	magnesium dihydride	2	Σu	1620	1572	0.971	191	1646
		3	Πu	451	440	0.975	191	1647
HNO3	Nitric acid	1	A'	3743	3550	0.948	192	1648
		4	A'	1415	1325	0.937	192	1649
		7	A'	611	579	0.948	192	1650
PCl3	Phosphorus trichloride	3	?a	525	482	0.918	193	1651
		5	E	190	198	1.042	193	1652
H2O2	Hydrogen peroxide	2	A	1500	1402	0.935	194	1653
		5	B	3790	3608	0.952	194	1654
H2O	Water	1	A1	3807	3657	0.961	195	1655
Cl2	Chlorine diatomic	1	Σg	531	560	1.054	196	1656
HNO2	Nitrous acid	2	A'	1835	1700	0.926	197	1657
		5	A'	698	596	0.854	197	1658
H2S	Hydrogen sulfide	1	A1	2762	2615	0.947	198	1659
		2	A1	1269	1183	0.932	198	1660
F2O	Difluorine monoxide	2	A1	482	461	0.957	199	1661
		3	B2	964	831	0.862	199	1662
NF3	Nitrogen trifluoride	2	A1	674	647	0.960	200	1663
		3	E	1032	907	0.879	200	1664
		4	E	508	492	0.968	200	1665
PF3	Phosphorus trifluoride	3	E	914	860	0.941	201	1666
		4	E	335	344	1.026	201	1667
AlF3	Aluminum trifluoride	1	A1'	723	690	0.955	202	1668
		2	A2"	307	297	0.966	202	1669
		4	E'	264	263	0.996	202	1670
AlH3	aluminum trihydride	1	A1'	1958	1900	0.970	203	1671
		3	E'	1973	1883	0.954	203	1672
BeH2	beryllium dihydride	2	Σu	2295	2159	0.941	204	1673
HSO3F	Fluorosulfonic acid	1	A	3762	3602	0.957	205	1674
		4	A	1237	1150	0.929	205	1675
		6	A	859	823	0.958	205	1676
		7	A	550	562	1.022	205	1677
		9	A	510	518	1.015	205	1678
		10	A	414	409	0.988	205	1679
		12	A	280	266	0.950	205	1680
LiF	lithium fluoride	1	Σ	1015	911	0.897	206	1681
FNO	Nitrosyl fluoride	2	A'	881	766	0.869	207	1682
FNO3	Fluorine nitrate	1	A'	1948	1759	0.903	208	1683
		3	A'	1053	928	0.881	208	1684
		4	A'	879	804	0.914	208	1685
		6	A'	534	455	0.853	208	1686
		9	A"	141	152	1.077	208	1687
ClF	Chlorine monofluoride	1	Σ	803	783	0.976	209	1688
ClF3	Chlorine trifluoride	1	A1	794	752	0.947	210	1689
		3	A1	356	328	0.921	210	1690
		4	B1	328	328	0.999	210	1691
		6	B2	451	442	0.979	210	1692
HOCl	hypochlorous acid	2	A'	1340	1239	0.924	211	1693
Cl2O	Dichlorine monoxide	2	A1	309	296	0.959	212	1694
		3	B2	742	686	0.925	212	1695
SO2Cl2	Sulfuryl chloride	1	A1	1233	1205	0.977	213	1696
		3	A1	406	408	1.004	213	1697
		4	A1	211	218	1.034	213	1698
		6	B1	614	586	0.955	213	1699
		7	B1	385	388	1.007	213	1700
		9	B2	366	362	0.990	213	1701
NH2OH	hydroxylamine	3	A'	1741	1605	0.922	214	1702
		6	A'	997	895	0.898	214	1703
		8	A"	1371	1295	0.944	214	1704
		9	A"	420	386	0.918	214	1705
PH3	Phosphine	3	E	2488	2328	0.936	215	1706
		4	E	1160	1118	0.964	215	1707
SiH4	Silane	1	A1	2294	2187	0.953	216	1708
		3	T2	2310	2191	0.948	216	1709
		4	T2	940	914	0.972	216	1710
N2O	Nitrous oxide	1	Σ	2458	2224	0.905	217	1711
		2	Σ	1379	1285	0.932	217	1712
S2Cl2	Disulfur dichloride	1	A	531	546	1.028	218	1713
		3	A	204	202	0.991	218	1714
		4	A	93	95	1.016	218	1715
		6	B	246	244	0.994	218	1716
SiHCl3	Trichlorosilane	3	A1	261	254	0.972	219	1717
		5	E	625	600	0.960	219	1718
		6	E	179	176	0.981	219	1719
Cl3PO	Phosphoryl chloride	2	A1	498	481	0.965	220	1720
		3	A1	280	266	0.950	220	1721
		6	E	192	187	0.973	220	1722
SiCl4	Silane, tetrachloro-	2	E	151	150	0.993	221	1723
		4	T2	229	221	0.967	221	1724
PCl5	Phosphorus pentachloride	1	A1'	401	395	0.985	222	1725
		3	A2"	474	465	0.982	222	1726
		7	E'	97	100	1.029	222	1727
OClO	Chlorine dioxide	1	A1	966	946	0.979	223	1728
BCl3	Borane, trichloro-	2	A2"	480	460	0.959	224	1729
		4	E'	272	243	0.894	224	1730
BHCl2	Borane, dichloro-	2	A1	769	740	0.962	225	1731
		4	B1	822	784	0.954	225	1732
		5	B2	1163	1089	0.936	225	1733
C2	Carbon diatomic	1	Σg	1732	1855	1.071	226	1734
		1	Σg	1999	1855	0.928	226	1735
P2	Phosphorus diatomic	1	Σg	837	781	0.933	227	1736
P4	Phosphorus tetramer	1	A1	636	601	0.944	228	1737
		2	E	379	361	0.952	228	1738
		3	T2	485	467	0.963	228	1739
AlS	Aluminum sulfide	1	Σ	652	617	0.947	229	1740
CP	Carbon monophosphide	1	Σ	1193	1240	1.040	230	1741
NaO	sodium monoxide	1	Σ	576	492	0.854	231	1742
SiS	silicon monosulfide	1	Σ	795	750	0.943	232	1743
BH3	boron trihydride	2	A2"	1178	1148	0.974	233	1744
		3	E'	2770	2602	0.939	233	1745
		4	E'	1239	1197	0.966	233	1746
ClNO2	Nitryl chloride	2	A1	834	793	0.951	234	1747
		3	A1	414	364	0.879	234	1748
		5	B2	1878	1684	0.897	234	1749
		6	B2	442	408	0.924	234	1750
HCF	Fluoromethylene	1	A'	2843	2643	0.930	235	1751
		1	A'	3223	2643	0.820	235	1752
		2	A'	1480	1403	0.948	235	1753
		2	A'	1313	1403	1.069	235	1754
H2S2	HSSH	2	A	943	882	0.936	236	1755
		5	B	2729	2559	0.938	236	1756
SiH3Cl	chlorosilane	3	A1	568	551	0.971	237	1757
		5	E	976	954	0.978	237	1758
F3PO	Phosphoryl fluoride	2	A1	889	873	0.982	238	1759
		3	A1	473	472	0.997	238	1760
		6	E	324	336	1.036	238	1761
AlFCl2	Aluminum dichloride fluoride	2	A1	452	450	0.995	239	1762
		3	A1	159	150	0.942	239	1763
		5	B2	657	610	0.929	239	1764
		6	B2	213	200	0.940	239	1765
SiH3F	monofluorosilane	2	A1	1053	990	0.940	240	1766
		6	E	759	728	0.959	240	1767
SiCl2	Dichlorosilylene	1	A1	542	522	0.962	241	1768
		3	B2	539	509	0.944	241	1769
BeF	Beryllium monofluoride	1	Σ	1298	1247	0.961	242	1770
BeH	beryllium monohydride	1	Σ	2112	2061	0.976	243	1771
BeS	beryllium sulfide	1	Σ	1057	998	0.944	244	1772
B2Cl4	Diboron tetrachloride	1	A1	1184	1122	0.948	245	1773
		2	A1	422	401	0.950	245	1774
		5	B2	767	728	0.949	245	1775
		7	E	976	917	0.940	245	1776
BHF2	Difluoroborane	1	A1	2798	2621	0.937	246	1777
		2	A1	1197	1164	0.973	246	1778
		4	B1	971	924	0.951	246	1779
		5	B2	1492	1402	0.939	246	1780
PH2	Phosphino radical	1	A1	2444	2310	0.945	247	1781
SiH3	silyl	2	A1	787	728	0.926	248	1782
		3	E	2309	2185	0.946	248	1783
		4	E	956	922	0.965	248	1784
BH	Boron monohydride	1	Σ	2404	2367	0.984	249	1785
B2O2	Diboron dioxide	2	Σg	630	585	0.929	250	1786
		3	Σu	2043	1898	0.929	250	1787
		5	Πu	218	213	0.978	250	1788
NH2	Amino radical	1	A1	3394	3219	0.949	251	1789
		3	B2	3504	3301	0.942	251	1790
N2F2	Dinitrogen difluoride, (E)-	1	Ag	1676	1523	0.909	252	1791
		2	Ag	1121	1018	0.908	252	1792
		4	Au	377	364	0.966	252	1793
		5	Bu	1086	991	0.913	252	1794
AlF2Cl	Aluminum chloride difluoride	2	A1	527	500	0.948	253	1795
		3	A1	250	250	0.999	253	1796
		5	B2	997	900	0.902	253	1797
		6	B2	194	200	1.029	253	1798
HPO	HPO	3	A'	1045	986	0.943	254	1799
SiH2	silicon dihydride	2	A1	1046	999	0.955	255	1800
		2	A1	909	999	1.100	255	1801
SO	Sulfur monoxide	1	Σ	1180	1151	0.975	256	1802
		1	Σ	1137	1151	1.012	256	1803
SH	Mercapto radical	1	Σ	2730	2696	0.988	257	1804
PH	phosphorus monohydride	1	Σ	2395	2364	0.987	258	1805
		1	Σ	2426	2364	0.974	258	1806
		1	Σ	2395	2415	1.008	258	1807
		1	Σ	2426	2415	0.995	258	1808
		1	Σ	2395	2403	1.003	258	1809
		1	Σ	2426	2403	0.991	258	1810
AlH	aluminum monohydride	1	Σ	1718	1682	0.979	259	1811
HOF	Hypofluorous acid	1	A'	3761	3537	0.940	260	1812
		2	A'	1441	1393	0.967	260	1813
HNO	Nitrosyl hydride	1	A'	3022	2684	0.888	261	1814
		3	A'	1616	1501	0.929	261	1815
MgH	magnesium monohydride	1	Σ	1492	1493	1.000	262	1816
AlH2	aluminum dihydride	1	A1	1882	1770	0.941	263	1817
HBS	hydrogen boron sulfide	1	Σ	2896	2736	0.945	264	1818
MgCl	magnesium monochloride	1	Σ	474	462	0.976	265	1819
PF	phosphorus monofluoride	1	Σ	877	847	0.966	266	1820
		1	Σ	899	847	0.942	266	1821
B2H6	Diborane	1	Ag	2689	2524	0.939	267	1822
		4	Ag	843	794	0.942	267	1823
		7	B1g	965	915	0.948	267	1824
		10	B2g	1949	1768	0.907	267	1825
		13	B2u	997	950	0.953	267	1826
		15	B3g	1076	1012	0.941	267	1827
		16	B3u	2676	2525	0.944	267	1828
		18	B3u	1230	1177	0.957	267	1829
HBO	Boron hydride oxide	1	Σ	2973	2850	0.959	268	1830
		3	Π	778	756	0.972	268	1831
BeOH	beryllium hydroxide	2	A'	1292	1246	0.964	269	1832
SSO	Disulfur monoxide	2	A'	723	679	0.939	270	1833
		3	A'	395	380	0.962	270	1834
S2	Sulfur diatomic	1	Σg	728	726	0.996	271	1835
		1	Σg	706	726	1.027	271	1836
Na2	Sodium diatomic	1	Σg	159	159	0.999	272	1837
ClS2	Sulfur chloride	2	A'	442	450	1.017	273	1838
H2CO	Formaldehyde	3	A1	1596	1500	0.940	274	1839
		6	B2	1310	1249	0.954	274	1840
C3H4O2	β–Propiolactone	3	A'	2011	1882	0.936	275	1841
		6	A'	1402	1319	0.941	275	1842
		14	A"	3226	3028	0.939	275	1843
		17	A"	1194	1139	0.954	275	1844
		20	A"	530	490	0.925	275	1845
CH3CH2OH	Ethanol	2	A'	3194	2984	0.934	276	1846
		5	A'	1597	1490	0.933	276	1847
		8	A'	1458	1371	0.941	276	1848
		11	A'	1084	1028	0.948	276	1849
		19	A"	845	812	0.960	276	1850
HCOOH	Formic acid	2	A'	3170	2943	0.928	277	1851
		5	A'	1370	1229	0.897	277	1852
CH3COOH	Acetic acid	3	A'	3128	2944	0.941	278	1853
		6	A'	1481	1382	0.933	278	1854
		9	A'	1045	989	0.946	278	1855
		17	A"	558	534	0.957	278	1856
CH3OH	Methyl alcohol	1	A'	3829	3681	0.961	279	1857
		4	A'	1573	1477	0.939	279	1858
		7	A'	1124	1060	0.943	279	1859
CH3COCH3	Acetone	2	A1	3107	2937	0.945	280	1860
		10	A2	1525	1426	0.935	280	1861
		13	B1	3176	2972	0.936	280	1862
		16	B1	497	484	0.974	280	1863
		19	B2	3102	2937	0.947	280	1864
		22	B2	1295	1216	0.939	280	1865
CHCl3	Chloroform	3	A1	387	366	0.947	281	1866
		5	E	830	774	0.932	281	1867
C2H6O2S	Dimethyl sulfone	4	A1	1436	1337	0.931	282	1868
		7	A1	728	703	0.965	282	1869
		10	A2	3241	3024	0.933	282	1870
		13	A2	299	326	1.089	282	1871
		16	B1	1523	1428	0.938	282	1872
		24	B2	1419	1322	0.932	282	1873
		27	B2	467	465	0.996	282	1874
C6H6	Benzene	1	A1g	3259	3062	0.939	283	1875
		4	A2u	694	673	0.970	283	1876
		7	B2g	911	995	1.092	283	1877
		16	E2g	1701	1596	0.938	283	1878
		19	E2u	920	975	1.060	283	1879
CH3CCl3	Ethane, 1,1,1-trichloro-	1	A1	3133	2951	0.942	284	1880
		8	E	1539	1457	0.947	284	1881
		11	E	360	351	0.975	284	1882
CH4	Methane	2	E	1613	1534	0.951	285	1883
C2H6	Ethane	1	A1g	3105	2896	0.933	286	1884
		8	Eg	1562	1468	0.940	286	1885
		11	Eu	1567	1460	0.932	286	1886
C2H4	Ethylene	1	Ag	3223	3026	0.939	287	1887
		4	Au	1075	1023	0.952	287	1888
		7	B2g	945	940	0.995	287	1889
		10	B3g	3284	3086	0.940	287	1890
C2H2	Acetylene	3	Σu	3482	3289	0.944	288	1891
		5	Πu	766	730	0.952	288	1892
CH3Cl	Methyl chloride	1	A1	3150	2966	0.942	289	1893
		4	E	3253	3042	0.935	289	1894
CH3NH2	methyl amine	3	A'	3054	2820	0.923	290	1895
		6	A'	1516	1430	0.944	290	1896
		9	A'	919	780	0.849	290	1897
		12	A"	1577	1485	0.942	290	1898
HCN	Hydrogen cyanide	3	Π	744	712	0.957	291	1899
CH3SH	Methanethiol	2	A'	3132	2931	0.936	292	1900
		5	A'	1446	1335	0.923	292	1901
		8	A'	755	708	0.938	292	1902
C3H8	Propane	5	A1	1555	1462	0.940	293	1903
		8	A1	912	869	0.953	293	1904
		11	A2	1551	1451	0.935	293	1905
		14	A2	231	216	0.935	293	1906
		17	B1	1568	1472	0.939	293	1907
		20	B1	286	268	0.937	293	1908
CH3CCH	propyne	2	A1	3109	2918	0.938	294	1909
		5	A1	966	931	0.964	294	1910
		7	E	1542	1452	0.942	294	1911
		10	E	271	328	1.211	294	1912
CH3CH2Cl	Ethyl chloride	2	A'	3161	2946	0.932	295	1913
		10	A'	718	677	0.943	295	1914
		13	A"	3202	2986	0.933	295	1915
		16	A"	1134	974	0.859	295	1916
CH2CHCl	Ethene, chloro-	2	A'	3290	3086	0.938	296	1917
		5	A'	1457	1368	0.939	296	1918
		8	A'	753	720	0.956	296	1919
		11	A"	923	896	0.971	296	1920
CH2CHF	Ethene, fluoro-	8	A'	970	929	0.957	297	1921
		11	A"	875	863	0.987	297	1922
CH3CH2NH2	Ethylamine	3	A'	3108	2840	0.914	298	1923
		11	A'	1118	1086	0.971	298	1924
		14	A'	414	403	0.974	298	1925
		17	A"	3145	2906	0.924	298	1926
		20	A"	1319	1293	0.980	298	1927
		23	A"	318	259	0.815	298	1928
CH3CN	Acetonitrile	3	A1	1472	1385	0.941	299	1929
		7	E	1095	1041	0.950	299	1930
CH3CHO	Acetaldehyde	5	A'	1527	1433	0.939	300	1931
		8	A'	1171	1114	0.951	300	1932
		11	A"	3173	2964	0.934	300	1933
		14	A"	803	764	0.951	300	1934
CH3CH2SH	ethanethiol	1	A'	3190	2966	0.930	301	1935
		4	A'	2754	2580	0.937	301	1936
		7	A'	1479	1385	0.937	301	1937
		15	A"	3181	2930	0.921	301	1938
		18	A"	1102	1049	0.952	301	1939
CH2Cl2	Methylene chloride	1	A1	3202	2999	0.937	302	1940
CH2F2	Methane, difluoro-	6	B1	3216	3014	0.937	303	1941
		9	B2	1188	1090	0.917	303	1942
HNCO	Isocyanic acid	1	A'	3750	3538	0.943	304	1943
		4	A'	797	777	0.975	304	1944
CS2	Carbon disulfide	3	Πu	412	397	0.964	305	1945
CH3SCH3	Dimethyl sulfide	1	A1	3213	2998	0.933	306	1946
		4	A1	1452	1331	0.916	306	1947
		7	A1	281	282	1.004	306	1948
		15	B1	189	182	0.964	306	1949
		18	B2	1541	1444	0.937	306	1950
		21	B2	794	743	0.936	306	1951
C3H6	Cyclopropane	4	A1"	1197	1126	0.941	307	1952
		7	A2"	886	854	0.964	307	1953
		9	E'	1532	1438	0.939	307	1954
		12	E"	3283	3082	0.939	307	1955
C2H4O	Ethylene oxide	2	A1	1603	1498	0.935	308	1956
		5	A1	938	877	0.934	308	1957
CH3CH(CH3)CH3	Isobutane	1	A1	3169	2962	0.935	309	1958
		4	A1	1575	1477	0.938	309	1959
		12	A2	225	198	0.882	309	1960
		14	E	3161	2962	0.937	309	1961
		17	E	1550	1475	0.952	309	1962
		24	E	273			309	1963
CH3CHClCH3	Propane, 2-chloro-	1	A'	3207	3005	0.937	310	1964
		4	A'	3108	2878	0.926	310	1965
		7	A'	1484	1390	0.937	310	1966
		10	A'	1130	1065	0.942	310	1967
		13	A'	438	418	0.955	310	1968
		21	A"	1472	1377	0.936	310	1969
		24	A"	992	972	0.980	310	1970
		27	A"	256	276	1.077	310	1971
CH2CCl2	Ethene, 1,1-dichloro-	2	A1	1728	1627	0.942	311	1972
		5	A1	312	299	0.960	311	1973
		8	B1	477	460	0.965	311	1974
		11	B2	837	800	0.956	311	1975
CH3COCl	Acetyl Chloride	2	A'	3126	2948	0.943	312	1976
		10	A'	356	348	0.978	312	1977
		13	A"	1090	1032	0.947	312	1978
CH3CHF2	Ethane, 1,1-difluoro-	2	A'	3157	2975	0.942	313	1979
		5	A'	1506	1413	0.939	313	1980
		8	A'	1199	1140	0.951	313	1981
		11	A'	474	468	0.988	313	1982
CH2CF2	Ethene, 1,1-difluoro-	3	A1	1451	1360	0.938	314	1983
		6	A2	744	714	0.959	314	1984
CCl2O	Phosgene	5	B2	922	849	0.921	315	1985
N(CH3)3	Trimethylamine	4	A1	1539	1444	0.939	316	1986
		7	A1	383	367	0.958	316	1987
		10	A2	1095	1046	0.956	316	1988
		14	E	3006	2776	0.923	316	1989
		18	E	1357	1275	0.939	316	1990
		21	E	438	424	0.966	316	1991
CFCl3	Trichloromonofluoromethane	2	A1	554	535	0.965	317	1992
		6	E	259	241	0.931	317	1993
CF3Cl	Methane, chlorotrifluoro-	2	A1	804	781	0.972	318	1994
		6	E	357	350	0.981	318	1995
C2F6	hexafluoroethane	2	A1g	829	809	0.975	319	1996
		5	A2u	1173	1117	0.953	319	1997
		10	Eu	1345	1251	0.930	319	1998
C5H8	1,3-Butadiene, 2-methyl-	5	A'	3201	3000	0.937	320	1999
		8	A'	1773	1638	0.924	320	2000
		11	A'	1512	1420	0.939	320	2001
		14	A'	1378	1313	0.953	320	2002
		17	A'	1039	1012	0.974	320	2003
		25	A"	1101	1034	0.939	320	2004
		28	A"	911	907	0.995	320	2005
		31	A"	395	290	0.735	320	2006
CHOCH(CH3)CH3	Propanal, 2-methyl-	3	A'	3132	2940	0.939	321	2007
		11	A'	1367	1329	0.972	321	2008
		14	A'	967	922	0.954	321	2009
		17	A'	363	395	1.089	321	2010
		20	A"	3186	2990	0.939	321	2011
		23	A"	1552	1467	0.945	321	2012
		26	A"	1398	1290	0.923	321	2013
CH2ClCHClCH3	Propane, 1,2-dichloro-	3	A	3203	2991	0.934	322	2014
		6	A	3118	2908	0.933	322	2015
		9	A	1541	1446	0.938	322	2016
		12	A	1389	1286	0.926	322	2017
		15	A	1194	1120	0.938	322	2018
		23	A	368	358	0.973	322	2019
		26	A	216	203	0.939	322	2020
CHClCCl2	Trichloroethylene	4	A'	997	931	0.934	323	2021
		7	A'	401	384	0.958	323	2022
		10	A"	832	780	0.937	323	2023
CH3COOCH3	methyl acetate	1	A'	3242	3035	0.936	324	2024
		9	A'	1463	1375	0.940	324	2025
		12	A'	1135	1060	0.934	324	2026
		15	A'	665	639	0.960	324	2027
		18	A"	3212	3005	0.935	324	2028
		21	A"	1533	1430	0.933	324	2029
CH3CH2CH2CH3	Butane	2	Ag	3096	2872	0.928	325	2030
		5	Ag	1553	1442	0.929	325	2031
		13	Au	3133	2930	0.935	325	2032
		16	Au	992	948	0.956	325	2033
		19	Au	124	102	0.824	325	2034
		22	Bg	1560	1460	0.936	325	2035
		25	Bg	837	803	0.959	325	2036
		36	Bu	268	271	1.013	325	2037
		2	A	3172	2872	0.905	325	2038
		5	A	3086	1442	0.467	325	2039
		13	A	1136	2930	2.580	325	2040
		16	A	823	948	1.152	325	2041
		19	A	114	102	0.896	325	2042
		22	B	3129	1460	0.467	325	2043
		25	B	1568	803	0.512	325	2044
		36	B	223	271	1.215	325	2045
CH2CHCHCH2	1,3-Butadiene	2	Ag	3214	3003	0.934	326	2046
		5	Ag	1522	1438	0.945	326	2047
		8	Ag	922	894	0.970	326	2048
		16	Bg	773	770	0.996	326	2049
		19	Bu	3205	2984	0.931	326	2050
		22	Bu	1357	1294	0.954	326	2051
CHCCH2CH3	1-Butyne	3	A'	3112			327	2052
		6	A'	1565	1470	0.939	327	2053
		9	A'	1403	1322	0.942	327	2054
		12	A'	873	840	0.962	327	2055
		15	A'	187	197	1.051	327	2056
		23	A"	341	344	1.008	327	2057
CH2ClCH2Cl	Ethane, 1,2-dichloro-	1	Ag	3173	2957	0.932	328	2058
		9	Au	804	773	0.962	328	2059
		12	Bg	1347	1264	0.938	328	2060
		15	Bu	1554	1461	0.940	328	2061
		18	Bu	224	222	0.990	328	2062
C3H3N	acrylonitrile	2	A'	3262	3078	0.944	329	2063
		5	A'	1735	1615	0.931	329	2064
		8	A'	1143	1096	0.959	329	2065
		11	A'	237	242	1.022	329	2066
		14	A"	699	683	0.978	329	2067
C3H6O	2-Propen-1-ol	2	A	3294	3102	0.942	330	2068
		10	A	1472	1384	0.940	330	2069
		13	A	1281	1191	0.930	330	2070
		16	A	1037	1038	1.001	330	2071
		19	A	947	885	0.934	330	2072
		22	A	339	377	1.112	330	2073
C2H2O2	Ethanedial	1	Ag	3079	2843	0.923	331	2074
		4	Ag	1133	1065	0.940	331	2075
		7	Au	152	127	0.836	331	2076
		10	Bu	1858	1732	0.932	331	2077
CH3OCHO	methyl formate	3	A'	3131	2943	0.940	332	2078
		6	A'	1525	1445	0.947	332	2079
		9	A'	1236	1166	0.943	332	2080
		17	A"	343	332	0.967	332	2081
C6H5Cl	chlorobenzene	3	A1	3236	3031	0.937	333	2082
		11	A1	428	417	0.973	333	2083
		14	A2	408	403	0.989	333	2084
		17	B1	742	741	0.998	333	2085
		20	B1	191	198	1.036	333	2086
		23	B2	1690	1598	0.945	333	2087
		26	B2	1308	1271	0.971	333	2088
C5H12	Pentane	3	A1	3089	2866	0.928	334	2089
		6	A1	1558	1463	0.939	334	2090
		9	A1	1418	1346	0.949	334	2091
		17	A2	1561	1462	0.937	334	2092
		20	A2	1024	993	0.970	334	2093
		23	A2	109	131	1.198	334	2094
		26	B1	3103	2930	0.944	334	2095
		29	B1	1260	1170	0.929	334	2096
		37	B2	1567	1476	0.942	334	2097
		40	B2	1468	1379	0.939	334	2098
		43	B2	1080	1024	0.948	334	2099
CH3CH2CH2CN	Butanenitrile	1	A'	3188	2977	0.934	335	2100
		4	A'	3101	2883	0.930	335	2101
		12	A'	1155	1100	0.953	335	2102
		15	A'	909	842	0.926	335	2103
		18	A'	166			335	2104
		21	A"	3148	2950	0.937	335	2105
		24	A"	1304	1234	0.946	335	2106
		27	A"	764	764	1.001	335	2107
C3H2N2	Malononitrile	8	A2	359	367	1.022	336	2108
		11	B1	332	337	1.014	336	2109
		14	B2	1021	982	0.962	336	2110
C4H5N	Pyrrole	1	A1	3734	3531	0.945	337	2111
		4	A1	1561	1472	0.943	337	2112
		7	A1	1132	1075	0.949	337	2113
		10	A2	808	864	1.069	337	2114
		18	B2	3293	3119	0.947	337	2115
		21	B2	1351	1288	0.953	337	2116
		24	B2	893	866	0.970	337	2117
C4H8O	Furan, tetrahydro-	3	A	3117	2913	0.935	338	2118
		6	A	1561	1462	0.937	338	2119
		9	A	1297	1227	0.946	338	2120
		12	A	1076	1029	0.956	338	2121
		20	B	3118	2912	0.934	338	2122
		23	B	1551	1450	0.935	338	2123
		26	B	1298	1244	0.958	338	2124
		29	B	1000	955	0.955	338	2125
		32	B	592	591	0.999	338	2126
C4H4O	Furan	1	A1	3350	3161	0.943	339	2127
		4	A1	1468	1384	0.942	339	2128
		7	A1	1049	995	0.948	339	2129
		15	B2	3345	3154	0.943	339	2130
		18	B2	1329	1267	0.953	339	2131
		21	B2	903	873	0.966	339	2132
C4H4S	Thiophene	2	A1	3283	3098	0.944	340	2133
		5	A1	1149	1083	0.942	340	2134
		8	A1	629	608	0.967	340	2135
		11	A2	551	567	1.029	340	2136
		19	B2	1149	1085	0.944	340	2137
C6H14	Hexane	1	Ag	3175	2966	0.934	341	2138
		4	Ag	3070	2852	0.929	341	2139
		7	Ag	1552	1440	0.928	341	2140
		10	Ag	1384	1305	0.943	341	2141
		13	Ag	1062	1007	0.948	341	2142
		21	Au	1377	1303	0.946	341	2143
		24	Au	834	824	0.988	341	2144
		27	Au	101	94	0.930	341	2145
		30	Bg	3126	2908	0.930	341	2146
		33	Bg	1369	1305	0.953	341	2147
		41	Bu	3095	2884	0.932	341	2148
		44	Bu	1576	1476	0.936	341	2149
		47	Bu	1476	1387	0.940	341	2150
		50	Bu	1119	1061	0.948	341	2151
		53	Bu	479	470	0.982	341	2152
C4H4N2	Succinonitrile	3	Ag	1537	1422	0.925	342	2153
		6	Ag	997	809	0.812	342	2154
		9	Au	3192	2985	0.935	342	2155
		12	Au	388	357	0.920	342	2156
		20	Bu	1542	1425	0.924	342	2157
		23	Bu	520	526	1.012	342	2158
C6H12	Cyclohexane	8	A1u	1173	1157	0.986	343	2159
		11	A2g	1102	1090	0.989	343	2160
		14	A2u	1560	1437	0.921	343	2161
		17	Eg	3133	2930	0.935	343	2162
		24	Eg	438	426	0.972	343	2163
		27	Eu	1555	1457	0.937	343	2164
		8	A	1571	1157	0.736	343	2165
		11	A	1413	1090	0.772	343	2166
		14	A	1309	1437	1.098	343	2167
		17	A	1073	2930	2.732	343	2168
		31	B	3084	426	0.138	343	2169
		37	B	1424	1457	1.023	343	2170
C5H5N	Pyridine	2	A1	3241	3073	0.948	344	2171
		5	A1	1564	1483	0.948	344	2172
		8	A1	1070	1032	0.964	344	2173
		19	B2	3258	3087	0.947	344	2174
		22	B2	1517	1442	0.951	344	2175
		25	B2	1192	1143	0.959	344	2176
C3H6O3	1,3,5-Trioxane	2	A1	3033	2855	0.941	345	2177
		5	A1	1025	970	0.946	345	2178
		12	E	3018	2855	0.946	345	2179
		15	E	1371	1309	0.955	345	2180
		18	E	1007	935	0.929	345	2181
C5H11N	Piperidine	3	A'	3137	2931	0.934	346	2182
		6	A'	3080	2850	0.925	346	2183
		9	A'	1558	1452	0.932	346	2184
		12	A'	1432	1365	0.953	346	2185
		15	A'	1215	1164	0.958	346	2186
		23	A'	441	432	0.980	346	2187
		26	A"	3147	2940	0.934	346	2188
		29	A"	2991	2803	0.937	346	2189
		32	A"	1528	1436	0.940	346	2190
		35	A"	1393	1285	0.923	346	2191
		43	A"	847	810	0.956	346	2192
		3	A'	3137	2931	0.934	346	2193
		6	A'	3081	2850	0.925	346	2194
		9	A'	1554	1452	0.935	346	2195
		12	A'	1433	1365	0.953	346	2196
		15	A'	1239	1164	0.939	346	2197
		23	A'	447	432	0.967	346	2198
		26	A"	3144	2940	0.935	346	2199
		29	A"	3076	2803	0.911	346	2200
		32	A"	1531	1436	0.938	346	2201
		35	A"	1391	1285	0.924	346	2202
		43	A"	835	810	0.970	346	2203
CH2CHCH3	Propene	2	A'	3210	3013	0.939	347	2204
		5	A'	3093	2871	0.928	347	2205
		16	A"	1541	1443	0.936	347	2206
		19	A"	934	912	0.976	347	2207
CH3OCH3	Dimethyl ether	3	A1	1578	1464	0.928	348	2208
		6	A1	989	928	0.938	348	2209
		14	B1	1232	1179	0.957	348	2210
		17	B2	3049	2817	0.924	348	2211
		20	B2	1255	1227	0.977	348	2212
CH2C(CH3)CH3	1-Propene, 2-methyl-	7	A1	1469	1366	0.930	349	2213
		10	A1	385	383	0.996	349	2214
		13	A2	1053	1076	1.021	349	2215
		16	B1	3149	2945	0.935	349	2216
		19	B1	911	890	0.977	349	2217
		27	B2	1348	1282	0.951	349	2218
		30	B2	443	430	0.971	349	2219
C2F4	Tetrafluoroethylene	3	Ag	396	394	0.995	350	2220
		6	B1u	551	558	1.013	350	2221
		9	B2u	204	218	1.069	350	2222
CH3CH2CHO	Propanal	2	A'	3119	2904	0.931	351	2223
		5	A'	1887	1743	0.924	351	2224
		8	A'	1485	1390	0.936	351	2225
		11	A'	1154	1093	0.947	351	2226
		19	A"	1323	1250	0.945	351	2227
		22	A"	705	660	0.937	351	2228
C4H9N	Pyrrolidine	4	A'	3134	2889	0.922	352	2229
		7	A'	1570	1447	0.922	352	2230
		10	A'	1290	1228	0.952	352	2231
		13	A'	1041	920	0.884	352	2232
		16	A'	926	832	0.899	352	2233
		24	A"	1576	1459	0.926	352	2234
		27	A"	1372	1268	0.924	352	2235
		30	A"	1240	1171	0.944	352	2236
		33	A"	969	883	0.911	352	2237
		36	A"	64	65	1.013	352	2238
C4H8O2	1,4-Dioxane	3	Ag	1562	1444	0.924	353	2239
		6	Ag	1192	1128	0.946	353	2240
		9	Ag	451	435	0.964	353	2241
		12	Au	3061	2863	0.935	353	2242
		20	Bg	3166	2968	0.937	353	2243
		23	Bg	1399	1335	0.954	353	2244
		26	Bg	897	853	0.951	353	2245
		29	Bu	3072	2863	0.932	353	2246
		32	Bu	1356	1291	0.952	353	2247
C2Cl4	Tetrachloroethylene	1	Ag	1700	1571	0.924	354	2248
		4	Au	101	110	1.086	354	2249
		7	B2g	553	512	0.926	354	2250
		10	B3g	1060	1000	0.944	354	2251
C5H8	Cyclopentene	7	A'	1575	1467	0.932	355	2252
		10	A'	1274	1284	1.008	355	2253
		13	A'	1010	964	0.955	355	2254
		16	A'	728	692	0.950	355	2255
		19	A"	3241	3039	0.938	355	2256
		27	A"	1187	1207	1.017	355	2257
		30	A"	950	937	0.986	355	2258
		33	A"	394	387	0.982	355	2259
C2H5N	Aziridine	1	A'	3548	3338	0.941	356	2260
		4	A'	1591	1482	0.932	356	2261
		7	A'	1168	1090	0.934	356	2262
		10	A'	809	773	0.956	356	2263
		13	A"	1553	1463	0.942	356	2264
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	3	A1	1270	1179	0.928	357	2265
		6	A2	922	876	0.950	357	2266
		9	B2	3284	3072	0.935	357	2267
		12	B2	591	571	0.967	357	2268
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1	Ag	3303	3073	0.930	358	2269
		4	Ag	897	846	0.943	358	2270
		7	Au	220	227	1.033	358	2271
C4H6	Bicyclo[1.1.0]butane	7	A1	904	839	0.927	359	2272
		10	A2	1232	1172	0.951	359	2273
		13	A2	898	838	0.934	359	2274
		16	B1	1173	1092	0.931	359	2275
		19	B2	3237	3044	0.940	359	2276
C5H8	Spiropentane	2	A1	1556	1423	0.914	360	2277
		5	A1	628	588	0.936	360	2278
		8	A2	871	919	1.055	360	2279
		16	B2	1071	990	0.924	360	2280
		20	E	1520	1431	0.941	360	2281
		23	E	931	870	0.934	360	2282
C8H8	cubane	8	Eu	615	617	1.003	361	2283
		14	T2g	1254	1182	0.943	361	2284
		15	T2g	865	821	0.949	361	2285
		16	T2g	676	665	0.984	361	2286
		17	T2u	1116	1036	0.928	361	2287
		18	T2u	869	829	0.954	361	2288
C4H8	cyclobutane	8	A2	989	941	0.952	362	2289
		11	B1	983	928	0.944	362	2290
		14	B2	1553	1440	0.927	362	2291
		17	E	3175	2959	0.932	362	2292
C3H6S	Thietane	3	A'	3148	2946	0.936	363	2293
		11	A'	896	845	0.943	363	2294
		14	A'	171			363	2295
		17	A"	1551	1454	0.937	363	2296
		20	A"	1246	1165	0.935	363	2297
		23	A"	864	823	0.952	363	2298
C3H4N2	1H-Pyrazole	8	A'	1437	1358	0.945	364	2299
		11	A'	1184	1121	0.947	364	2300
		14	A'	959	924	0.963	364	2301
		17	A"	813	833	1.025	364	2302
		20	A"	629	623	0.990	364	2303
C3H3NO	Isoxazole	2	A'	3334	3128	0.938	365	2304
		5	A'	1537	1560	1.015	365	2305
		13	A'	938			365	2306
		16	A"	781	764	0.978	365	2307
C3H4N2	1H-Imidazole	8	A'	1420	1265	0.891	366	2308
		11	A'	1191	1062	0.892	366	2309
		14	A'	961	923	0.961	366	2310
		17	A"	814	758	0.932	366	2311
		20	A"	641	621	0.969	366	2312
C3H3NO	Oxazole	2	A'	3347	3144	0.939	367	2313
		5	A'	1602	1504	0.939	367	2314
		13	A'	931	854	0.917	367	2315
		16	A"	759	750	0.988	367	2316
C2H3N3	1H-1,2,4-Triazole	10	A'	1192	1155	0.969	368	2317
		13	A'	981	930	0.948	368	2318
		16	A"	709	693	0.977	368	2319
CH2N4	1H-Tetrazole	1	A'	3729	3447	0.924	369	2320
		4	A'	1537	1384	0.900	369	2321
		7	A'	1190	1084	0.911	369	2322
		10	A'	1037	969	0.934	369	2323
		13	A"	746	663	0.889	369	2324
C4H4N2	Pyridazine	2	A1	3255	3043	0.935	370	2325
		5	A1	1211	1283	1.059	370	2326
		8	A1	1013	964	0.952	370	2327
		11	A2	946	863	0.912	370	2328
		19	B2	1676	1565	0.934	370	2329
		22	B2	1116	1052	0.942	370	2330
C4H4N2	1,3-Diazine	3	A1	3235	3049	0.943	371	2331
		11	A2	416	398	0.957	371	2332
		14	B1	825	804	0.974	371	2333
		17	B2	3238	3047	0.941	371	2334
		20	B2	1434	1356	0.945	371	2335
		23	B2	1130	1071	0.948	371	2336
C4H4N2	Pyrazine	2	Ag	1693	1580	0.933	372	2337
		5	Ag	618	602	0.975	372	2338
		8	B1g	956	927	0.970	372	2339
		16	B2u	1485	1411	0.950	372	2340
		19	B3g	3239	3040	0.939	372	2341
		22	B3g	729	704	0.966	372	2342
C3H3N3	1,3,5-Triazine	3	A1'	1046	992	0.948	373	2343
		11	E'	1238	1176	0.950	373	2344
		14	E"	374	340	0.909	373	2345
N2H4	Hydrazine	3	A	1759	1642	0.934	374	2346
		6	A	915	780	0.853	374	2347
		9	B	3495	3314	0.948	374	2348
		12	B	1089	966	0.887	374	2349
C2H5SC2H5	Diethyl sulfide	6	A1	1478	1380	0.934	375	2350
		9	A1	1042	974	0.935	375	2351
		12	A1	149			375	2352
		15	A2	1553			375	2353
		18	A2	814			375	2354
		21	B1	3194	2967	0.929	375	2355
		29	B2	3186	2967	0.931	375	2356
		32	B2	1564	1450	0.927	375	2357
		35	B2	1355	1259	0.929	375	2358
		38	B2	739	693	0.938	375	2359
CF2O	Carbonic difluoride	1	A1	2068	1928	0.932	376	2360
		4	B1	786	774	0.984	376	2361
CF3CN	Acetonitrile, trifluoro-	4	A1	533	522	0.979	377	2362
		6	E	639	618	0.968	377	2363
C2H4S	Thiirane	1	A1	3211	3014	0.938	378	2364
CH3CF3	Ethane, 1,1,1-trifluoro-	2	A1	1502	1412	0.940	379	2365
		5	A1	612	606	0.989	379	2366
		9	E	1339	1230	0.919	379	2367
C4H2	Diacetylene	1	Σg	3532	3293	0.932	380	2368
		9	Πu	243	231	0.949	380	2369
C2N2	Cyanogen	2	Σg	894	846	0.946	381	2370
CH2CCH2	allene	2	A1	1538	1443	0.938	382	2371
		5	B2	3207	3007	0.938	382	2372
		8	E	3287	3086	0.939	382	2373
CH2CO	Ketene	3	A1	1470	1388	0.944	383	2374
OCS	Carbonyl sulfide	2	Σ	907	859	0.947	384	2375
C5H12	Propane, 2,2-dimethyl-	2	A1	1497	1381	0.923	385	2376
		5	E	3164	2955	0.934	385	2377
		10	T1	1544	1461	0.946	385	2378
		11	T1	990	932	0.941	385	2379
		12	T1	291	203	0.698	385	2380
		13	T2	3169	2959	0.934	385	2381
		14	T2	3085	2876	0.932	385	2382
C6H6	Fulvene	6	A1	1499	1449	0.967	386	2383
		9	A1	1028	986	0.959	386	2384
		12	A2	870			386	2385
		15	A2	475	494	1.040	386	2386
		18	B1	759	769	1.013	386	2387
		21	B2	3294			386	2388
		29	B2	823	795	0.965	386	2389
CH3CCCH3	2-Butyne	3	A1'	1476	1380	0.935	387	2390
		6	A2"	3103	2938	0.947	387	2391
		9	E'	3178	2973	0.935	387	2392
		12	E'	200	213	1.068	387	2393
C5H10	2-Butene, 2-methyl-	4	A'	3180	2972	0.935	388	2394
		7	A'	3083	2908	0.943	388	2395
		10	A'	1561	1453	0.931	388	2396
		27	A"	3142	2972	0.946	388	2397
		30	A"	1533	1453	0.948	388	2398
C5H6	1,3-Cyclopentadiene	2	A1	3267	3075	0.941	389	2399
		5	A1	1493	1378	0.923	389	2400
		13	A2	718	700	0.975	389	2401
		16	B1	965	925	0.959	389	2402
		19	B1	346	350	1.012	389	2403
		22	B2	1702	1580	0.928	389	2404
		25	B2	1152	1090	0.946	389	2405
CH3COF	Acetyl fluoride	3	A'	2002	1870	0.934	390	2406
		6	A'	1292	1188	0.919	390	2407
		9	A'	615	598	0.973	390	2408
		12	A"	1532	1437	0.938	390	2409
CH2CHCHClCH3	1-Butene, 3-chloro-	2	A	3222	3017	0.936	391	2410
		10	A	1546	1447	0.936	391	2411
		13	A	1379	1297	0.941	391	2412
		16	A	1241	1174	0.946	391	2413
		19	A	1032	988	0.958	391	2414
		22	A	910	864	0.949	391	2415
		25	A	474	456	0.961	391	2416
CH3CHCHCH3	2-Butene, (Z)-	1	A1	3217	3033	0.943	392	2417
		4	A1	1797	1669	0.929	392	2418
		7	A1	1335	1261	0.944	392	2419
		10	A1	305	290	0.950	392	2420
		18	B1	1548	1448	0.936	392	2421
		24	B2	3095	2900	0.937	392	2422
		27	B2	1444	1397	0.968	392	2423
		30	B2	577	583	1.011	392	2424
CH2CCHCH3	1,2-Butadiene	2	A'	3201	3010	0.940	393	2425
		5	A'	2106	1970	0.935	393	2426
		8	A'	1472	1389	0.944	393	2427
		11	A'	1132	1074	0.949	393	2428
		14	A'	575	555	0.966	393	2429
		22	A"	546	523	0.959	393	2430
C6H10	1,5-Hexadiene	3	Ag	3195	2984	0.934	394	2431
		6	Ag	1550	1442	0.930	394	2432
		9	Ag	1373	1280	0.932	394	2433
		12	Ag	943	924	0.979	394	2434
		20	Au	580	649	1.119	394	2435
		23	Bg	3104	2911	0.938	394	2436
		26	Bg	1047	996	0.951	394	2437
		29	Bg	172	264	1.534	394	2438
		32	Bu	3195	2975	0.931	394	2439
CH3F	Methyl fluoride	3	A1	1125	1049	0.932	395	2440
		5	E	1559	1467	0.941	395	2441
CH3PH2	Methyl phosphine	1	A'	3213	3000	0.934	396	2442
		4	A'	1536	1450	0.944	396	2443
		12	A"	1540	1450	0.942	396	2444
		15	A"	241	207	0.859	396	2445
C5H8	1,2-Butadiene, 3-methyl-	2	A1	3195	2941	0.920	397	2446
		5	A1	1573	1470	0.935	397	2447
		13	A2	1535	1470	0.958	397	2448
		19	B1	1550	1470	0.949	397	2449
		22	B1	446	443	0.994	397	2450
		25	B2	3197	2941	0.920	397	2451
		28	B2	1461	1369	0.937	397	2452
CH3NO3	Methyl nitrate	3	A'	1859	1678	0.903	398	2453
		6	A'	1426	1287	0.903	398	2454
		9	A'	950	854	0.899	398	2455
		12	A'	366	340	0.928	398	2456
C5H6S	Thiophene, 3-methyl-	1	A'	3316	3111	0.938	399	2457
		4	A'	3187	2971	0.932	399	2458
		12	A'	1226	1154	0.941	399	2459
		15	A'	972	931	0.958	399	2460
		18	A'	682	659	0.967	399	2461
		21	A"	3165	2945	0.930	399	2462
		24	A"	867	874	1.008	399	2463
		27	A"	574	594	1.035	399	2464
CH3CHCHCH3	2-Butene, (E)-	1	Ag	3189	3011	0.944	400	2465
		4	Ag	1806	1680	0.930	400	2466
		7	Ag	1371	1309	0.954	400	2467
		15	Au	249	224	0.901	400	2468
		18	Bg	1541	1457	0.945	400	2469
		24	Bu	3090	2899	0.938	400	2470
		27	Bu	1376	1311	0.953	400	2471
CH3SCH2CH3	Ethane, (methylthio)-	1	A'	3213	2991	0.931	401	2472
		4	A'	3110	2871	0.923	401	2473
		7	A'	1556	1435	0.922	401	2474
		10	A'	1440	1321	0.917	401	2475
		13	A'	1043			401	2476
		21	A"	3157	2920	0.925	401	2477
		24	A"	1316	1239	0.942	401	2478
		27	A"	822	757	0.921	401	2479
		30	A"	78			401	2480
CH3ONO	Methyl nitrite	2	A'	3127	2950	0.944	402	2481
		5	A'	1506	1408	0.935	402	2482
		13	A"	1200	1143	0.952	402	2483
CH3SSCH3	Disulfide, dimethyl	8	A	1027	949	0.924	403	2484
		11	A	241	240	0.996	403	2485
		14	B	3224	2990	0.927	403	2486
		17	B	1541	1430	0.928	403	2487
		20	B	1033	955	0.925	403	2488
C6H10	2-Hexyne	8	A'	1570	1462	0.931	404	2489
		11	A'	1543	1450	0.939	404	2490
		14	A'	1446	1348	0.933	404	2491
		17	A'	1152	1097	0.952	404	2492
		20	A'	929	893	0.961	404	2493
		28	A"	3150	2942	0.934	404	2494
		31	A"	1543	1450	0.939	404	2495
		34	A"	1156	1091	0.943	404	2496
		37	A"	761	740	0.972	404	2497
		40	A"	212	220	1.040	404	2498
C3H7N	Cyclopropylamine	1	A'	3528	3348	0.949	405	2499
		4	A'	3147	2975	0.945	405	2500
		7	A'	1473	1374	0.933	405	2501
		10	A'	1116	1150	1.031	405	2502
		18	A"	3205	3023	0.943	405	2503
		21	A"	1241	1045	0.842	405	2504
		24	A"	949	884	0.932	405	2505
		27	A"	292	254	0.871	405	2506
C6H8	1,3,5-Hexatriene, (E)-	3	Ag	3202	3054	0.954	406	2507
		6	Ag	1695	1579	0.932	406	2508
		9	Ag	1353	1220	0.902	406	2509
		12	Ag	452	444	0.981	406	2510
		15	Au	976	941	0.964	406	2511
		18	Au	247			406	2512
		26	Bu	3213	3045	0.948	406	2513
		29	Bu	1749	1629	0.931	406	2514
		32	Bu	1322	1255	0.949	406	2515
		35	Bu	553	590	1.068	406	2516
C4H6	Cyclobutene	2	A1	3116	2935	0.942	407	2517
		5	A1	1275	1276	1.001	407	2518
		8	A1	933	886	0.949	407	2519
		16	B1	899	846	0.941	407	2520
		19	B2	3110	2916	0.937	407	2521
		22	B2	1275	1214	0.952	407	2522
CH3SiH3	methyl silane	1	A1	3106	2898	0.933	408	2523
		4	A1	968	940	0.971	408	2524
		7	E	3193	2982	0.934	408	2525
		10	E	981	980	0.999	408	2526
C4N2	2-Butynedinitrile	8	Πu	490	472	0.963	409	2527
NaOH	sodium hydroxide	1	Σ	3945	3637	0.922	410	2528
CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	2	A	3201	2971	0.928	411	2529
		5	A	3178	2971	0.935	411	2530
		8	A	3107	2899	0.933	411	2531
		11	A	1568	1448	0.923	411	2532
		14	A	1549	1448	0.935	411	2533
		22	A	1232	1154	0.936	411	2534
		25	A	1029			411	2535
		28	A	966	924	0.957	411	2536
		31	A	676	632	0.935	411	2537
		34	A	345			411	2538
Si2H6	disilane	1	A1g	2277	2152	0.945	412	2539
		4	A1u	138	131	0.952	412	2540
		7	Eg	2284	2155	0.944	412	2541
CCl2	dichloromethylene	2	A1	353	335	0.950	413	2542
C5H10S	2H-Thiopyran, tetrahydro-	3	A'	3134	2929	0.935	414	2543
		6	A'	3080	2849	0.925	414	2544
		9	A'	1534	1426	0.930	414	2545
		12	A'	1317	1237	0.939	414	2546
		20	A'	519	504	0.971	414	2547
		23	A'	188	194	1.030	414	2548
		26	A"	3109	2892	0.930	414	2549
		29	A"	1529	1405	0.919	414	2550
		32	A"	1363	1269	0.931	414	2551
		40	A"	726	688	0.948	414	2552
C5H8	1,3-Pentadiene, (E)-	3	A'	3200	3015	0.942	415	2553
		6	A'	3176	2940	0.926	415	2554
		9	A'	1727	1610	0.932	415	2555
		12	A'	1475	1385	0.939	415	2556
		20	A'	492	483	0.983	415	2557
		23	A"	3153	2971	0.942	415	2558
		26	A"	1044	1002	0.960	415	2559
		29	A"	833	820	0.985	415	2560
		32	A"	201	129	0.643	415	2561
CH2NH	Methanimine	1	A'	3475	3263	0.939	416	2562
		9	A"	1104	1061	0.961	416	2563
CF2	Difluoromethylene	1	A1	1309	1225	0.936	417	2564
		1	A1	1185	1225	1.034	417	2565
CF3	Trifluoromethyl radical	2	A1	711	701	0.985	418	2566
		4	E	511	509	0.996	418	2567
C4H9N	Cyclobutylamine	3	A'	3172	2950	0.930	419	2568
		6	A'	3049	2887	0.947	419	2569
		9	A'	1540	1443	0.937	419	2570
		12	A'	1280	1237	0.967	419	2571
		15	A'	1005	1050	1.044	419	2572
		23	A"	3175	2970	0.935	419	2573
		26	A"	1399	1213	0.867	419	2574
		29	A"	1263	1036	0.820	419	2575
		32	A"	978	912	0.933	419	2576
		35	A"	398	354	0.890	419	2577
SF6	Sulfur Hexafluoride	3	T1u	1024	948	0.925	420	2578
		4	T1u	589	616	1.045	420	2579
		5	T2g	500	525	1.050	420	2580
		6	T2u	336	347	1.032	420	2581
HCO	Formyl radical	1	A'	2778	2434	0.876	421	2582
C3H4	cyclopropene	1	A1	3377	3158	0.935	422	2583
		4	A1	1584	1483	0.936	422	2584
		7	A2	1047	996	0.951	422	2585
		10	B1	1148	1088	0.948	422	2586
C4H8O	Cyclobutanol	1	A'	3797	3656	0.963	423	2587
		4	A'	3144	2968	0.944	423	2588
		12	A'	1255	1120	0.892	423	2589
		15	A'	1020	963	0.944	423	2590
		18	A'	628	602	0.958	423	2591
		21	A"	3178	2979	0.937	423	2592
		24	A"	1348	1211	0.898	423	2593
		32	A"	402	380	0.946	423	2594
C3H3	Propargyl radical	6	B1	629	687	1.093	424	2595
CS	carbon monosulfide	1	Σ	1390	1285	0.925	425	2596
HO2	Hydroperoxy radical	2	A'	1507	1392	0.924	426	2597
NF2	Difluoroamino radical	1	A1	1155	1075	0.930	427	2598
SiH2Cl2	dichlorosilane	1	A1	2348	2224	0.947	428	2599
		4	A1	192	188	0.979	428	2600
		7	B1	617	602	0.975	428	2601
CHOCHCHCH3	2-Butenal	1	A'	3238	3058	0.944	429	2602
		4	A'	3098	2938	0.948	429	2603
		7	A'	1775	1649	0.929	429	2604
		10	A'	1469	1375	0.936	429	2605
		13	A'	1207	1147	0.950	429	2606
		16	A'	555	539	0.972	429	2607
		24	A"	786	780	0.992	429	2608
		27	A"	125	122	0.978	429	2609
C4H5N	Cyclopropanecarbonitrile	5	A'	1571	1468	0.934	430	2610
		8	A'	1178	1125	0.955	430	2611
		11	A'	840	808	0.961	430	2612
		14	A'	213	222	1.041	430	2613
		17	A"	1526	1442	0.945	430	2614
C4H6	Methylenecyclopropane	1	A1	3204	3010	0.940	431	2615
		4	A1	1545	1437	0.930	431	2616
		7	A1	1089	1002	0.920	431	2617
		10	A2	1209	1144	0.946	431	2618
		18	B2	3286	3086	0.939	431	2619
		21	B2	1188	1174	0.988	431	2620
		24	B2	362	290	0.801	431	2621
C5H12S	Propane, 2-methyl-2-(methylthio)-	3	A'	3177	2967	0.934	432	2622
		6	A'	3101	2875	0.927	432	2623
		9	A'	1563	1460	0.934	432	2624
		12	A'	1489	1391	0.934	432	2625
		20	A'	863	815	0.944	432	2626
		23	A'	433	419	0.968	432	2627
		26	A'	284			432	2628
		29	A"	3191	2967	0.930	432	2629
		32	A"	3094	2875	0.929	432	2630
		43	A"	416	403	0.969	432	2631
		46	A"	244			432	2632
HCP	HCP	2	Σ	1382	1278	0.925	433	2633
SO3	Sulfur trioxide	1	A1'	1112	1065	0.958	434	2634
AlCl3	Aluminum trichloride	3	E'	646	595	0.921	435	2635
C2Cl2	dichloroacetylene	2	Σg	487	477	0.979	436	2636
ClFO3	Perchloryl fluoride	2	A1	776	715	0.921	437	2637
		6	E	379	405	1.069	437	2638
SiO2	silicon dioxide	2	Σu	1520	1416	0.932	438	2639
BF3	Borane, trifluoro-	1	A1'	906	888	0.980	439	2640
NaH	sodium hydride	1	Σ	1164	1172	1.007	440	2641
PF5	Phosphorus pentafluoride	6	E'	524	533	1.016	441	2642
HF	Hydrogen fluoride	1	Σ	4069	4138	1.017	442	2643
NH3	Ammonia	1	A1	3508	3337	0.951	443	2644
H2SO4	Sulfuric acid	2	A	1251	1216	0.972	444	2645
		13	B	550	558	1.014	444	2646
NaF	sodium fluoride	1	Σ	589	536	0.909	445	2647
HNO3	Nitric acid	3	A'	1457	1331	0.913	446	2648
		6	A'	701	647	0.923	446	2649
		9	A"	504	456	0.906	446	2650
PCl3	Phosphorus trichloride	2	?a	525	252	0.480	447	2651
H2O2	Hydrogen peroxide	3	A	978	877	0.896	448	2652
		6	B	1365	1266	0.928	448	2653
H2O	Water	3	B2	3928	3756	0.956	449	2654
HNO2	Nitrous acid	1	A'	3785	3591	0.949	450	2655
		4	A'	948	790	0.833	450	2656
PF3	Phosphorus trifluoride	2	A1	479	487	1.016	451	2657
SiF4	Silicon tetrafluoride	2	E	264	268	1.016	452	2658
AlH3	aluminum trihydride	2	A2"	717	698	0.973	453	2659
		4	E'	800	783	0.979	453	2660
HSO3F	Fluorosulfonic acid	3	A	1276	1243	0.974	454	2661
		11	A	365	390	1.068	454	2662
FNO	Nitrosyl fluoride	1	A'	1923	1844	0.959	455	2663
FNO3	Fluorine nitrate	7	A'	343	303	0.885	456	2664
ClF3	Chlorine trifluoride	2	A1	583	529	0.907	457	2665
		5	B2	806	702	0.871	457	2666
HOCl	hypochlorous acid	1	A'	3784	3609	0.954	458	2667
Cl2O	Dichlorine monoxide	1	A1	676	639	0.945	459	2668
SO2Cl2	Sulfuryl chloride	8	B2	1481	1434	0.968	460	2669
NH2OH	hydroxylamine	1	A'	3826	3650	0.954	461	2670
		4	A'	1474	1353	0.918	461	2671
		7	A"	3582	3359	0.938	461	2672
PH3	Phosphine	2	A1	1067	992	0.930	462	2673
SiH4	Silane	2	E	990	975	0.985	463	2674
N2O	Nitrous oxide	3	Π	613	589	0.961	464	2675
S2Cl2	Disulfur dichloride	2	A	482	466	0.966	465	2676
		5	B	475	461	0.971	465	2677
SiHCl3	Trichlorosilane	2	A1	510	499	0.979	466	2678
Cl3PO	Phosphoryl chloride	1	A1	1363	1322	0.970	467	2679
		4	E	624	590	0.945	467	2680
PCl5	Phosphorus pentachloride	2	A1'	296	370	1.249	468	2681
		5	E'	597	592	0.991	468	2682
		8	E"	270	261	0.967	468	2683
OClO	Chlorine dioxide	3	B2	1144	1110	0.971	469	2684
BCl3	Borane, trichloro-	1	A1'	495	471	0.951	470	2685
BHCl2	Borane, dichloro-	1	A1	2782	2617	0.941	471	2686
SiF	silicon monofluoride	1	Σ	898	857	0.954	472	2687
MgS	magnesium sulfide	1	Σ	525	529	1.008	473	2688
SiN	Silicon nitride	1	Σ	1367	1151	0.842	474	2689
BS	boron sulfide	1	Σ	1244	1180	0.949	475	2690
ClNO2	Nitryl chloride	4	B1	693	652	0.940	476	2691
H2S2	HSSH	1	A	2728	2556	0.937	477	2692
		4	A	444	417	0.939	477	2693
SiH3Cl	chlorosilane	2	A1	987	949	0.962	478	2694
		6	E	681	664	0.975	478	2695
F3PO	Phosphoryl fluoride	1	A1	1468	1417	0.965	479	2696
		4	E	1024	991	0.967	479	2697
SiH3F	monofluorosilane	1	A1	2325	2206	0.949	480	2698
		4	E	2335	2196	0.940	480	2699
SiCl2	Dichlorosilylene	2	A1	209	201	0.960	481	2700
AlCl	Aluminum monochloride	1	Σ	501	482	0.962	482	2701
AlF	Aluminum monofluoride	1	Σ	851	802	0.943	483	2702
B2Cl4	Diboron tetrachloride	3	A1	181	176	0.973	484	2703
		6	B2	309	289	0.936	484	2704
		8	E	520	512	0.986	484	2705
SiH3	silyl	1	A1	2270	2136	0.941	485	2706
B2O2	Diboron dioxide	4	Πg	502	410	0.816	486	2707
NH	Imidogen	1	Σ	3306	3283	0.993	487	2708
		1	Σ	3306	3314	1.002	487	2709
		1	Σ	3340	3283	0.983	487	2710
		1	Σ	3340	3314	0.992	487	2711
N2F2	Dinitrogen difluoride, (E)-	6	Bu	438	423	0.966	488	2712
AlF2Cl	Aluminum chloride difluoride	4	B1	274	260	0.949	489	2713
HPO	HPO	2	A'	1240	1188	0.958	490	2714
SiH2	silicon dihydride	1	A1	2114	1996	0.944	491	2715
		1	A1	2254	1996	0.885	491	2716
HOF	Hypofluorous acid	3	A'	1013	886	0.874	492	2717
BH2	boron dihydride	2	A1	1065	954	0.895	493	2718
AlH2	aluminum dihydride	3	B2	1919	1807	0.941	494	2719
MgF	Magnesium monofluoride	1	Σ	765	712	0.931	495	2720
PCl	phosphorus chloride	1	Σ	548	577	1.053	496	2721
		1	Σ	580	577	0.994	496	2722
B2H6	Diborane	3	Ag	1238	1180	0.953	497	2723
		6	B1g	2773	2591	0.934	497	2724
		9	B1u	1008	973	0.965	497	2725
		12	B2u	2785	2612	0.938	497	2726
BCl	boron monochloride	1	Σ	875	840	0.961	498	2727
ClS2	Sulfur chloride	1	A'	636	662	1.041	499	2728
C4H8O	Cyclobutanol	20	A'	201	170	0.845	500	2729
		23	A"	1540	1438	0.934	500	2730
		26	A"	1283	1160	0.904	500	2731
		29	A"	972	927	0.953	500	2732
NF2	Difluoroamino radical	3	B2	1059	942	0.890	501	2733
CF	Fluoromethylidyne	1	Σ	1359	1308	0.962	502	2734
SiH2Cl2	dichlorosilane	3	A1	544	527	0.969	503	2735
		6	B1	2366	2237	0.946	503	2736
		9	B2	612	590	0.964	503	2737
CHOCHCHCH3	2-Butenal	9	A'	1478	1391	0.941	504	2738
		12	A'	1321	1253	0.948	504	2739
		15	A'	976	973	0.997	504	2740
		18	A'	211	230	1.088	504	2741
		21	A"	1106	1042	0.942	504	2742
C4H5N	Cyclopropanecarbonitrile	2	A'	3251	3052	0.939	505	2743
		10	A'	1002	941	0.939	505	2744
		13	A'	536	527	0.982	505	2745
		16	A"	3215	3040	0.946	505	2746
		19	A"	1161	1070	0.922	505	2747
		22	A"	867	821	0.947	505	2748
C4H6	Methylenecyclopropane	3	A1	1899	1743	0.918	506	2749
		6	A1	1107	1036	0.936	506	2750
		9	A2	3260	3051	0.936	506	2751
		12	A2	638	616	0.966	506	2752
		15	B1	912	889	0.974	506	2753
		23	B2	940	792	0.842	506	2754
C5H12S	Propane, 2-methyl-2-(methylthio)-	5	A'	3120	2924	0.937	507	2755
		8	A'	1576	1460	0.926	507	2756
		11	A'	1544	1435	0.929	507	2757
		14	A'	1436	1318	0.918	507	2758
		17	A'	1090	1026	0.941	507	2759
		25	A'	335	322	0.961	507	2760
		28	A"	3210	2967	0.924	507	2761
		31	A"	3167	2967	0.937	507	2762
		34	A"	1548	1445	0.934	507	2763
		37	A"	1461	1364	0.933	507	2764
		40	A"	1024			507	2765
		48	A"	35			507	2766
HNC	hydrogen isocyanide	3	Π	517	477	0.922	508	2767
SO2	Sulfur dioxide	1	A1	1235	1151	0.932	509	2768
SO3	Sulfur trioxide	3	E'	1447	1391	0.961	510	2769
C2Cl2	dichloroacetylene	1	Σg	2422	2234	0.922	511	2770
		4	Πg	215	333	1.549	511	2771
ClFO3	Perchloryl fluoride	4	E	1322	1315	0.995	512	2772
BF3	Borane, trifluoro-	3	E'	1522	1449	0.952	513	2773
PF5	Phosphorus pentafluoride	2	A1'	696	648	0.932	514	2774
		5	E'	1065	1024	0.961	514	2775
		8	E"	496	520	1.049	514	2776
NH3	Ammonia	2	A1	1176	950	0.808	515	2777
		4	E	1758	1627	0.925	515	2778
H2SO4	Sulfuric acid	1	A	3773	3563	0.944	516	2779
		4	A	848	831	0.980	516	2780
		7	A	367	379	1.032	516	2781
		10	B	1514	1452	0.959	516	2782
HNO3	Nitric acid	2	A'	1904	1708	0.897	517	2783
		5	A'	1000	879	0.879	517	2784
		8	A"	791	762	0.963	517	2785
PCl3	Phosphorus trichloride	1	?a	525	504	0.959	518	2786
H2O2	Hydrogen peroxide	1	A	3787	3599	0.950	519	2787
		4	A	362	371	1.025	519	2788
N2	Nitrogen diatomic	1	Σg	2533	2359	0.931	520	2789
H2O	Water	2	A1	1750	1595	0.911	521	2790
F2	Fluorine diatomic	1	Σg	1008	917	0.909	522	2791
HNO2	Nitrous acid	3	A'	1397	1263	0.904	523	2792
		6	A"	582	543	0.933	523	2793
H2S	Hydrogen sulfide	3	B2	2786	2626	0.943	524	2794
F2O	Difluorine monoxide	1	A1	1014	928	0.915	525	2795
NF3	Nitrogen trifluoride	1	A1	1099	1032	0.939	526	2796
PF3	Phosphorus trifluoride	1	A1	931	892	0.958	527	2797
SiF4	Silicon tetrafluoride	1	A1	813	800	0.984	528	2798
		3	T2	1071	1032	0.963	528	2799
		4	T2	391	389	0.996	528	2800
AlF3	Aluminum trifluoride	3	E'	1009	935	0.927	529	2801
BeH2	beryllium dihydride	3	Πu	728	698	0.959	530	2802
HSO3F	Fluorosulfonic acid	2	A	1527	1486	0.973	531	2803
		5	A	921	896	0.973	531	2804
		8	A	536	551	1.027	531	2805
FNO	Nitrosyl fluoride	3	A'	621	520	0.837	532	2806
FNO3	Fluorine nitrate	2	A'	1430	1301	0.909	533	2807
		5	A'	705	633	0.898	533	2808
		8	A"	744	709	0.953	533	2809
HOCl	hypochlorous acid	3	A'	755	724	0.960	534	2810
SO2Cl2	Sulfuryl chloride	2	A1	578	577	0.998	535	2811
		5	A2	274	282	1.030	535	2812
NH2OH	hydroxylamine	2	A'	3489	3294	0.944	536	2813
		5	A'	1221	1115	0.914	536	2814
PH3	Phosphine	1	A1	2474	2323	0.939	537	2815
SiHCl3	Trichlorosilane	1	A1	2385	2261	0.948	538	2816
		4	E	841	811	0.965	538	2817
Cl3PO	Phosphoryl chloride	5	E	344	333	0.967	539	2818
SiCl4	Silane, tetrachloro-	1	A1	433	424	0.980	540	2819
		3	T2	645	621	0.963	540	2820
PCl5	Phosphorus pentachloride	4	A2"	313	299	0.956	541	2821
		6	E'	279	273	0.977	541	2822
OClO	Chlorine dioxide	2	A1	449	448	0.998	542	2823
SiO	Silicon monoxide	1	Σ	1339	1242	0.927	543	2824
BCl3	Borane, trichloro-	3	E'	1006	956	0.950	544	2825
BHCl2	Borane, dichloro-	6	B2	949	892	0.940	545	2826
LiO	lithium oxide	1	Σ	859	815	0.949	546	2827
BO	boron monoxide	1	Σ	2023	1885	0.932	547	2828
ClNO2	Nitryl chloride	1	A1	1412	1267	0.898	548	2829
HCF	Fluoromethylene	3	A'	1274	1189	0.933	549	2830
		3	A'	1162	1189	1.023	549	2831
H2S2	HSSH	3	A	529	515	0.972	550	2832
		6	B	942	878	0.932	550	2833
SiH3Cl	chlorosilane	1	A1	2318	2201	0.950	551	2834
		4	E	2336	2195	0.940	551	2835
F3PO	Phosphoryl fluoride	5	E	469	482	1.028	552	2836
AlFCl2	Aluminum dichloride fluoride	1	A1	932	850	0.912	553	2837
		4	B1	241	220	0.913	553	2838
SiH3F	monofluorosilane	3	A1	907	872	0.961	554	2839
		5	E	985	956	0.971	554	2840
B2Cl4	Diboron tetrachloride	9	E	104	104	0.999	555	2841
BHF2	Difluoroborane	3	A1	548	542	0.989	556	2842
PH2	Phosphino radical	2	A1	1163	1102	0.948	557	2843
B2O2	Diboron dioxide	1	Σg	2229	2060	0.924	558	2844
NH2	Amino radical	2	A1	1631	1497	0.918	559	2845
SiH	Silylidyne	1	Σ	2079	2043	0.983	560	2846
N2F2	Dinitrogen difluoride, (E)-	3	Ag	634	603	0.952	561	2847
BeCl	beryllium chloride	1	Σ	885	847	0.957	562	2848
AlF2Cl	Aluminum chloride difluoride	1	A1	870	820	0.943	563	2849
HPO	HPO	1	A'	2256	2095	0.929	564	2850
SiH2	silicon dihydride	3	B2	2118	1993	0.941	565	2851
		3	B2	2315	1993	0.861	565	2852
SiCl	Clorosilylidyne	1	Σ	546	536	0.980	566	2853
NF	nitrogen fluoride	1	Σ	1185	1141	0.963	567	2854
		1	Σ	1276	1141	0.895	567	2855
HNO	Nitrosyl hydride	2	A'	1725	1565	0.907	568	2856
Li2	Lithium diatomic	1	Σg	344	351	1.021	569	2857
AlH2	aluminum dihydride	2	A1	778	760	0.977	570	2858
HBS	hydrogen boron sulfide	2	Σ	1246	1172	0.941	571	2859
ClO	Monochlorine monoxide	1	Σ	838	854	1.019	572	2860
SCl	sulfur monochloride	1	Σ	563	575	1.020	573	2861
SF	Monosulfur monofluoride	1	Σ	861	838	0.972	574	2862
PN	Phosphorus mononitride	1	Σ	1478	1337	0.905	575	2863
B2H6	Diborane	2	Ag	2259	2104	0.931	576	2864
		5	Au	869	833	0.958	576	2865
		8	B1u	2096	1915	0.914	576	2866
		11	B2g	893	850	0.952	576	2867
		14	B2u	368	368	1.000	576	2868
		17	B3u	1808	1602	0.886	576	2869
HBO	Boron hydride oxide	2	Σ	1941	1826	0.940	577	2870
SSO	Disulfur monoxide	1	A'	1246	1166	0.936	578	2871
ClS2	Sulfur chloride	3	A'	218	196	0.897	579	2872
H2CO	Formaldehyde	1	A1	3020	2782	0.921	580	2873
		4	B1	1216	1167	0.959	580	2874
C3H4O2	β–Propiolactone	2	A'	3153	2935	0.931	581	2875
		5	A'	1521	1427	0.938	581	2876
		8	A'	1178	1093	0.928	581	2877
		11	A'	933	891	0.955	581	2878
		19	A"	828	790	0.954	581	2879
CH3CH2OH	Ethanol	4	A'	3056	2900	0.949	582	2880
		7	A'	1519	1412	0.930	582	2881
		10	A'	1159	1091	0.941	582	2882
		13	A'	427	417	0.974	582	2883
		16	A"	1545	1446	0.936	582	2884
HCOOH	Formic acid	8	A"	1085	1033	0.952	583	2885
CH3COOH	Acetic acid	2	A'	3246	3051	0.940	584	2886
		5	A'	1535	1430	0.932	584	2887
		8	A'	1276	1182	0.926	584	2888
		11	A'	600	657	1.095	584	2889
		14	A"	1533	1430	0.933	584	2890
CH3OH	Methyl alcohol	3	A'	3071	2844	0.926	585	2891
		6	A'	1432	1345	0.939	585	2892
		9	A"	3130	2960	0.946	585	2893
		12	A"	346	200	0.578	585	2894
CH3COCH3	Acetone	1	A1	3227	3019	0.936	586	2895
		4	A1	1535	1435	0.935	586	2896
		7	A1	823	777	0.944	586	2897
		18	B2	3226	3019	0.936	586	2898
		21	B2	1458	1364	0.936	586	2899
		24	B2	547	530	0.968	586	2900
CHCl3	Chloroform	1	A1	3262	3034	0.930	587	2901
		4	E	1322	1220	0.923	587	2902
C2H6O2S	Dimethyl sulfone	2	A1	3134	2936	0.937	588	2903
		5	A1	1194	1121	0.939	588	2904
		8	A1	502	496	0.987	588	2905
		11	A2	1507	1405	0.932	588	2906
		19	B1	373	396	1.062	588	2907
		22	B2	3132	2936	0.937	588	2908
		25	B2	1010	958	0.949	588	2909
C6H6	Benzene	2	A1g	1041	992	0.953	589	2910
		10	B2u	1199	1150	0.959	589	2911
		12	E1u	3249	3063	0.943	589	2912
		15	E2g	3233	3047	0.942	589	2913
		18	E2g	628	606	0.965	589	2914
CH3CCl3	Ethane, 1,1,1-trichloro-	3	A1	1142	1075	0.941	590	2915
		6	A2	325	214	0.659	590	2916
		12	E	255	239	0.936	590	2917
CH4	Methane	4	T2	1409	1306	0.927	591	2918
C2H6	Ethane	3	A1g	1048	995	0.950	592	2919
		6	A2u	1464	1370	0.936	592	2920
		12	Eu	848	822	0.970	592	2921
C2H4	Ethylene	3	Ag	1419	1342	0.946	593	2922
		6	B1u	1521	1444	0.949	593	2923
		9	B2u	852	826	0.969	593	2924
		12	B3u	988	949	0.961	593	2925
C2H2	Acetylene	1	Σg	3583	3374	0.942	594	2926
CH3Cl	Methyl chloride	3	A1	780	732	0.938	595	2927
		5	E	1541	1455	0.944	595	2928
CH3NH2	methyl amine	2	A'	3149	2961	0.940	596	2929
		5	A'	1560	1473	0.944	596	2930
		8	A'	1104	1044	0.945	596	2931
		11	A"	3190	2985	0.936	596	2932
		14	A"	1001	1195	1.194	596	2933
CH3SH	Methanethiol	1	A'	3226	3000	0.930	597	2934
		4	A'	1549	1475	0.952	597	2935
		7	A'	835	803	0.962	597	2936
		10	A"	1536	1430	0.931	597	2937
C3H8	Propane	2	A1	3097	2962	0.957	598	2938
		13	A2	939	940	1.001	598	2939
		16	B1	3130	2968	0.948	598	2940
		19	B1	772	748	0.969	598	2941
		22	B2	3094	2887	0.933	598	2942
		25	B2	1420	1338	0.943	598	2943
CH3CCH	propyne	3	A1	2293	2124	0.926	599	2944
		6	E	3187	3008	0.944	599	2945
CH3CH2Cl	Ethyl chloride	1	A'	3191	2967	0.930	600	2946
		4	A'	1561	1463	0.937	600	2947
		7	A'	1390	1289	0.927	600	2948
		15	A"	1325	1251	0.944	600	2949
		18	A"	276	251	0.909	600	2950
CH2CHCl	Ethene, chloro-	4	A'	1726	1608	0.931	601	2951
		7	A'	1081	1030	0.953	601	2952
		10	A"	995	941	0.946	601	2953
CH2CHF	Ethene, fluoro-	2	A'	3282	3080	0.939	602	2954
		5	A'	1467	1380	0.941	602	2955
CH3CH2NH2	Ethylamine	2	A'	3172	2985	0.941	603	2956
		5	A'	1737	1622	0.934	603	2957
		8	A'	1472	1378	0.936	603	2958
		16	A"	3173	2924	0.922	603	2959
		19	A"	1433	1238	0.864	603	2960
		22	A"	799	816	1.021	603	2961
CH3CN	Acetonitrile	5	E	3215	3009	0.936	604	2962
		8	E	366	362	0.988	604	2963
CH3CHO	Acetaldehyde	2	A'	3103	2923	0.942	605	2964
		10	A'	521	509	0.977	605	2965
		13	A"	1177	1102	0.936	605	2966
CH3CH2SH	ethanethiol	3	A'	3110	2872	0.923	606	2967
		6	A'	1556	1453	0.934	606	2968
		9	A'	1158	1097	0.948	606	2969
		12	A'	714	660	0.924	606	2970
CH2Cl2	Methylene chloride	4	A1	299	282	0.943	607	2971
		7	B1	949	898	0.947	607	2972
CH2F2	Methane, difluoro-	3	A1	1167	1111	0.952	608	2973
HNCO	Isocyanic acid	3	A'	1382	1327	0.960	609	2974
		6	A"	628	656	1.045	609	2975
CH3SCH3	Dimethyl sulfide	3	A1	1550	1444	0.932	610	2976
		6	A1	737	695	0.943	610	2977
		9	A2	1522	1420	0.933	610	2978
		12	B1	3192	2970	0.931	610	2979
		20	B2	965	903	0.936	610	2980
C3H6	Cyclopropane	1	A1'	3214	3038	0.945	611	2981
		10	E'	1120	1029	0.919	611	2982
		13	E"	1257	1188	0.945	611	2983
C2H4O	Ethylene oxide	1	A1	3178	3006	0.946	612	2984
		4	A1	1207	1120	0.928	612	2985
		7	A2	1215	1300	1.070	612	2986
		10	B1	1201	1142	0.951	612	2987
		13	B2	1559	1472	0.944	612	2988
CH3CH(CH3)CH3	Isobutane	3	A1	3079	2880	0.935	613	2989
		6	A1	1261	1177	0.934	613	2990
		9	A2	3169	2962	0.935	613	2991
		15	E	3087	2894	0.938	613	2992
		18	E	1466	1371	0.935	613	2993
		21	E	1016	966	0.950	613	2994
CH3CHClCH3	Propane, 2-chloro-	6	A'	1553	1454	0.936	614	2995
		9	A'	1237	1163	0.941	614	2996
		12	A'	670	633	0.944	614	2997
		15	A'	284	253	0.890	614	2998
		18	A"	3104	2947	0.949	614	2999
		26	A"	335	317	0.947	614	3000
CH2CCl2	Ethene, 1,1-dichloro-	3	A1	1456	1400	0.962	615	3001
		6	A2	714	686	0.961	615	3002
		9	B2	3341	3130	0.937	615	3003
CH3COCl	Acetyl Chloride	1	A'	3237	3027	0.935	616	3004
		4	A'	1526	1415	0.927	616	3005
		7	A'	1012	956	0.944	616	3006
		15	A"	145	166	1.148	616	3007
CH3CHF2	Ethane, 1,1-difluoro-	4	A'	1546	1457	0.943	617	3008
		7	A'	1212	1171	0.966	617	3009
		10	A'	577	569	0.986	617	3010
		13	A"	1547			617	3011
		16	A"	1011	942	0.932	617	3012
CH2CF2	Ethene, 1,1-difluoro-	1	A1	3273	3070	0.938	618	3013
		9	B2	3375	3154	0.935	618	3014
		12	B2	439	438	0.997	618	3015
CCl2O	Phosgene	2	A1	599	567	0.947	619	3016
CHF3	Methane, trifluoro-	1	A1	3229	3036	0.940	620	3017
		4	E	1478	1372	0.928	620	3018
N(CH3)3	Trimethylamine	1	A1	3141	2953	0.940	621	3019
		9	A2	1551	1453	0.936	621	3020
		12	E	3187	2981	0.935	621	3021
		15	E	1571	1471	0.936	621	3022
		22	E	284	281	0.989	621	3023
CFCl3	Trichloromonofluoromethane	4	E	907	847	0.934	622	3024
CF2Cl2	difluorodichloromethane	1	A1	1188	1101	0.927	623	3025
		4	A1	275	262	0.952	623	3026
		7	B1	450	437	0.971	623	3027
CF3Cl	Methane, chlorotrifluoro-	4	E	1321	1212	0.918	624	3028
CF4	Carbon tetrafluoride	2	E	438	435	0.993	625	3029
C2F6	hexafluoroethane	9	Eg	385	380	0.987	626	3030
		12	Eu	216	216	1.002	626	3031
C5H8	1,3-Butadiene, 2-methyl-	2	A'	3289	3095	0.941	627	3032
		10	A'	1562	1464	0.937	627	3033
		13	A'	1465	1363	0.931	627	3034
		16	A'	1121	1072	0.956	627	3035
		19	A'	813	770	0.947	627	3036
		22	A'	287	196	0.682	627	3037
		30	A"	647	615	0.950	627	3038
CHOCH(CH3)CH3	Propanal, 2-methyl-	2	A'	3177	2953	0.929	628	3039
		5	A'	2966	2757	0.929	628	3040
		8	A'	1564	1449	0.926	628	3041
		19	A'	242	212	0.876	628	3042
		22	A"	3096	2885	0.932	628	3043
		25	A"	1460	1437	0.984	628	3044
		28	A"	1022	965	0.945	628	3045
		31	A"	337	351	1.040	628	3046
CH2ClCHClCH3	Propane, 1,2-dichloro-	8	A	1552	1459	0.940	629	3047
		11	A	1434	1347	0.939	629	3048
		14	A	1274	1181	0.927	629	3049
		17	A	1080	1023	0.947	629	3050
		20	A	805	750	0.932	629	3051
CHClCCl2	Trichloroethylene	1	A'	3306	3082	0.932	630	3052
		9	A'	179	178	0.994	630	3053
		12	A"	212	215	1.016	630	3054
CH3COOCH3	methyl acetate	3	A'	3128	2966	0.948	631	3055
		6	A'	1559	1460	0.937	631	3056
		14	A'	899	844	0.939	631	3057
		17	A'	297	303	1.019	631	3058
		20	A"	1547	1460	0.943	631	3059
		23	A"	1105	1036	0.938	631	3060
		26	A"	158	136	0.861	631	3061
CH3CH2CH2CH3	Butane	8	Ag	1211	1151	0.950	632	3062
		11	Ag	438	425	0.971	632	3063
		14	Au	1561	1461	0.936	632	3064
		17	Au	753	731	0.970	632	3065
		20	Bg	3171	2965	0.935	632	3066
		28	Bu	3095	2870	0.927	632	3067
		31	Bu	1554	1461	0.940	632	3068
		34	Bu	1065	1009	0.947	632	3069
		8	A	1551	1151	0.742	632	3070
		11	A	1356	425	0.313	632	3071
		14	A	1029	1461	1.420	632	3072
		17	A	330	731	2.214	632	3073
		20	B	3178	2965	0.933	632	3074
		28	B	1479	2870	1.941	632	3075
		31	B	1197	1461	1.221	632	3076
		34	B	770	1009	1.310	632	3077
CH2CHCHCH2	1,3-Butadiene	1	Ag	3298	3087	0.936	633	3078
		4	Ag	1776	1630	0.918	633	3079
		7	Ag	1266	1196	0.945	633	3080
		10	Au	1053	1013	0.962	633	3081
		13	Au	155	162	1.043	633	3082
		21	Bu	1459	1381	0.947	633	3083
		24	Bu	301	301	1.002	633	3084
CHCCH2CH3	1-Butyne	8	A'	1474	1385	0.940	634	3085
		11	A'	1066	1008	0.946	634	3086
		14	A'	497	509	1.025	634	3087
		17	A"	3141	2939	0.936	634	3088
		20	A"	1144	1090	0.953	634	3089
CH2ClCH2Cl	Ethane, 1,2-dichloro-	3	Ag	1420	1304	0.918	635	3090
		6	Ag	314	300	0.956	635	3091
		14	Bu	3178	2983	0.939	635	3092
		17	Bu	781	728	0.932	635	3093
C3H3N	acrylonitrile	3	A'	3230	3042	0.942	636	3094
		6	A'	1489	1416	0.951	636	3095
		9	A'	903	869	0.962	636	3096
C3H6O	2-Propen-1-ol	5	A	3087	2934	0.950	637	3097
		8	A	1581	1453	0.919	637	3098
		11	A	1348	1320	0.979	637	3099
		14	A	1197	1132	0.945	637	3100
		17	A	1005	995	0.990	637	3101
		20	A	662	606	0.916	637	3102
C2H2O2	Ethanedial	9	Bu	3075	2835	0.922	638	3103
		12	Bu	344	339	0.986	638	3104
CH3OCHO	methyl formate	1	A'	3247	3045	0.938	639	3105
		4	A'	1898	1754	0.924	639	3106
		12	A'	319	318	0.996	639	3107
		15	A"	1215	1168	0.962	639	3108
		18	A"	159	130	0.819	639	3109
C6H5Cl	chlorobenzene	6	A1	1237	1174	0.949	640	3110
		9	A1	1029	1003	0.975	640	3111
		12	A2	920	961	1.045	640	3112
		15	B1	914	981	1.074	640	3113
		18	B1	542	685	1.262	640	3114
		21	B2	3266	3098	0.949	640	3115
		29	B2	636	615	0.967	640	3116
C5H12	Pentane	2	A1	3096	2892	0.934	641	3117
		5	A1	1576	1480	0.939	641	3118
		8	A1	1477	1379	0.934	641	3119
		11	A1	1095	1036	0.946	641	3120
		14	A1	184	179	0.973	641	3121
		22	A2	260	210	0.806	641	3122
		25	B1	3135	2930	0.935	641	3123
		28	B1	1368	1303	0.952	641	3124
		31	B1	747	727	0.973	641	3125
		34	B2	3175	2965	0.934	641	3126
		42	B2	1123	1073	0.955	641	3127
		45	B2	408	406	0.995	641	3128
CH3CH2CH2CN	Butanenitrile	3	A'	3111	2888	0.928	642	3129
		6	A'	1569	1472	0.938	642	3130
		9	A'	1480	1393	0.941	642	3131
		17	A'	354	358	1.011	642	3132
		20	A"	3164	2964	0.937	642	3133
		23	A"	1369	1267	0.926	642	3134
		26	A"	905	871	0.963	642	3135
		29	A"	247			642	3136
C3H2N2	Malononitrile	3	A1	1515	1395	0.921	643	3137
		6	A1	145	167	1.155	643	3138
		9	B1	3175	2968	0.935	643	3139
		12	B2	2464	2275	0.923	643	3140
		15	B2	357	366	1.026	643	3141
C4H5N	Pyrrole	3	A1	3304	3128	0.947	644	3142
		6	A1	1207	1148	0.951	644	3143
		9	A1	915	882	0.963	644	3144
		12	A2	602	614	1.020	644	3145
		15	B1	639	621	0.971	644	3146
C4H8O	Furan, tetrahydro-	5	A	1603	1488	0.928	645	3147
		8	A	1396	1308	0.937	645	3148
		11	A	1213	1142	0.941	645	3149
		14	A	956	895	0.936	645	3150
		17	A	271	286	1.057	645	3151
		25	B	1357	1292	0.952	645	3152
		28	B	1173	1070	0.912	645	3153
		31	B	917	865	0.943	645	3154
C4H4O	Furan	3	A1	1581	1491	0.943	646	3155
		6	A1	1121	1066	0.951	646	3156
		9	A2	800	838	1.047	646	3157
		12	B1	821	863	1.052	646	3158
		20	B2	1105	1040	0.941	646	3159
C4H4S	Thiophene	4	A1	1451	1360	0.937	647	3160
		7	A1	869	872	1.003	647	3161
		10	A2	695	688	0.990	647	3162
		13	B1	731	712	0.974	647	3163
		16	B2	3269	3086	0.944	647	3164
C6H14	Hexane	2	Ag	3095	2877	0.929	648	3165
		5	Ag	1570	1460	0.930	648	3166
		16	Ag	305	305	0.998	648	3167
		19	Au	3110	2920	0.939	648	3168
		22	Au	1299	1222	0.941	648	3169
		25	Au	745	726	0.975	648	3170
		28	Au	75	61	0.814	648	3171
		36	Bg	938	894	0.953	648	3172
		39	Bg	153	125	0.817	648	3173
		42	Bu	3088	2867	0.929	648	3174
		45	Bu	1561	1465	0.938	648	3175
		48	Bu	1444	1375	0.952	648	3176
C4H4N2	Succinonitrile	5	Ag	1076	1023	0.951	649	3177
		8	Ag	219	187	0.853	649	3178
		11	Au	795	760	0.957	649	3179
		14	Bg	3175	2982	0.939	649	3180
		17	Bg	352	387	1.100	649	3181
C6H12	Cyclohexane	2	A1g	3079	2852	0.926	650	3182
		5	A1g	837	802	0.958	650	3183
		13	A2u	3082	2860	0.928	650	3184
		16	A2u	537	523	0.975	650	3185
		18	Eg	3080	2897	0.940	650	3186
		21	Eg	1334	1266	0.949	650	3187
		25	Eu	3128	2933	0.938	650	3188
		28	Eu	1431	1355	0.947	650	3189
		31	Eu	901	863	0.957	650	3190
		2	A	3142	2852	0.908	650	3191
		5	A	3095	802	0.259	650	3192
		13	A	1337	2860	2.139	650	3193
		16	A	1097	523	0.477	650	3194
		19	A	932	2897	3.108	650	3195
		25	A	132	1266	9.586	650	3196
		33	B	1560	2933	1.880	650	3197
		39	B	1218	1355	1.113	650	3198
		45	B	902	863	0.957	650	3199
C5H5N	Pyridine	3	A1	3229	3030	0.938	651	3200
		11	A2	978	980	1.002	651	3201
		14	B1	952	1007	1.058	651	3202
		17	B1	685	700	1.022	651	3203
		20	B2	3229	3042	0.942	651	3204
		23	B2	1421	1362	0.959	651	3205
		26	B2	1113	1079	0.970	651	3206
C3H6O3	1,3,5-Trioxane	1	A1	3228	3020	0.936	652	3207
		4	A1	1289	1168	0.906	652	3208
		7	A1	478	476	0.996	652	3209
		10	A2	1080			652	3210
		16	E	1248	1168	0.936	652	3211
		19	E	540	524	0.970	652	3212
C5H11N	Piperidine	8	A'	1576	1476	0.936	653	3213
		11	A'	1479	1386	0.937	653	3214
		14	A'	1328	1266	0.953	653	3215
		17	A'	1087	1006	0.925	653	3216
		20	A'	857	822	0.959	653	3217
		28	A"	3099	2850	0.920	653	3218
		31	A"	1541	1460	0.947	653	3219
		34	A"	1412	1318	0.933	653	3220
		37	A"	1222	1191	0.974	653	3221
		40	A"	1102	1052	0.954	653	3222
		8	A'	1568	1476	0.941	653	3223
		11	A'	1444	1386	0.960	653	3224
		14	A'	1323	1266	0.957	653	3225
		17	A'	1053	1006	0.956	653	3226
		20	A'	850	822	0.967	653	3227
		28	A"	3085	2850	0.924	653	3228
		31	A"	1548	1460	0.943	653	3229
		34	A"	1420	1318	0.928	653	3230
		37	A"	1258	1191	0.947	653	3231
		40	A"	1102	1052	0.955	653	3232
CH2CHCH3	Propene	1	A'	3290	3090	0.939	654	3233
		4	A'	3179	2954	0.929	654	3234
		7	A'	1556	1470	0.945	654	3235
		10	A'	1363	1297	0.951	654	3236
		13	A'	958	920	0.961	654	3237
		21	A"	197	174	0.884	654	3238
CH3OCH3	Dimethyl ether	2	A1	3058	2817	0.921	655	3239
		5	A1	1309	1244	0.950	655	3240
		8	A2	3112	2952	0.949	655	3241
		11	A2	212	203	0.958	655	3242
CH2C(CH3)CH3	1-Propene, 2-methyl-	1	A1	3205	2989	0.933	656	3243
		4	A1	1784	1661	0.931	656	3244
		12	A2	1532	1459	0.952	656	3245
		15	A2	173	193	1.116	656	3246
		18	B1	1144	1079	0.943	656	3247
		21	B1	205	196	0.957	656	3248
		24	B2	3085	2893	0.938	656	3249
C2F4	Tetrafluoroethylene	2	Ag	810	778	0.960	657	3250
		5	B1u	1232	1186	0.963	657	3251
		8	B2u	1416	1337	0.944	657	3252
		11	B3g	557	551	0.990	657	3253
CH3CH2CHO	Propanal	3	A'	3085	2895	0.938	658	3254
		6	A'	1559	1460	0.936	658	3255
		14	A'	691	668	0.966	658	3256
		17	A"	3118	2942	0.944	658	3257
		20	A"	1192	1118	0.938	658	3258
		23	A"	240	220	0.917	658	3259
C4H9N	Pyrrolidine	2	A'	3186	2975	0.934	659	3260
		5	A'	3017	2824	0.936	659	3261
		8	A'	1446	1292	0.894	659	3262
		11	A'	1271	1181	0.929	659	3263
		19	A'	307	299	0.973	659	3264
		22	A"	3125	2879	0.921	659	3265
		25	A"	1549	1412	0.911	659	3266
		28	A"	1346	1211	0.899	659	3267
		31	A"	1174	1099	0.936	659	3268
C4H8O2	1,4-Dioxane	1	Ag	3167	2968	0.937	660	3269
		4	Ag	1479	1397	0.945	660	3270
		7	Ag	1072	1015	0.947	660	3271
		15	Au	1319	1256	0.952	660	3272
		18	Au	933	881	0.944	660	3273
		21	Bg	3068	2856	0.931	660	3274
		24	Bg	1271	1217	0.957	660	3275
		27	Bg	494	490	0.992	660	3276
		35	Bu	629	610	0.969	660	3277
CO2	Carbon dioxide	1	Σg	1432	1333	0.931	661	3278
C2Cl4	Tetrachloroethylene	6	B1u	330	310	0.940	662	3279
		9	B2u	187	176	0.939	662	3280
		12	B3u	305	288	0.943	662	3281
C5H8	Cyclopentene	1	A'	3265	3066	0.939	663	3282
		4	A'	3116	2902	0.931	663	3283
		12	A'	1108	1048	0.946	663	3284
		15	A'	857	904	1.054	663	3285
		18	A'	167	254	1.523	663	3286
		21	A"	3084	2927	0.949	663	3287
		24	A"	1376	1356	0.985	663	3288
		32	A"	793	702	0.885	663	3289
C2H5N	Aziridine	6	A'	1292	1211	0.937	664	3290
		9	A'	922	856	0.928	664	3291
		12	A"	3186	3015	0.946	664	3292
		15	A"	1194	1131	0.948	664	3293
		18	A"	919	817	0.889	664	3294
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1	A1	3305	3077	0.931	665	3295
		4	A1	748	711	0.951	665	3296
		7	A2	423	406	0.959	665	3297
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	3	Ag	1353	1274	0.942	666	3298
		6	Au	958	900	0.940	666	3299
		9	Bu	3298	3090	0.937	666	3300
		12	Bu	246	250	1.015	666	3301
C4H6	Bicyclo[1.1.0]butane	1	A1	3321	3131	0.943	667	3302
		4	A1	1590	1501	0.944	667	3303
		12	A2	964	909	0.942	667	3304
		15	B1	1221	1110	0.909	667	3305
		18	B1	787	737	0.936	667	3306
		21	B2	1552	1485	0.957	667	3307
		24	B2	985	935	0.949	667	3308
C5H8	Spiropentane	1	A1	3193	3000	0.940	668	3309
		4	A1	1095	1037	0.947	668	3310
		7	A2	1212	1174	0.969	668	3311
		10	B1	1223	1166	0.953	668	3312
		13	B2	3193	3000	0.939	668	3313
		21	E	1234	1150	0.932	668	3314
		24	E	816	780	0.956	668	3315
C8H8	cubane	2	A1g	1050	1002	0.955	669	3316
		5	Eg	1166	1083	0.929	669	3317
		9	T1g	1175	1130	0.962	669	3318
		10	T1u	3186	2978	0.935	669	3319
		11	T1u	1313	1230	0.937	669	3320
		12	T1u	888	853	0.960	669	3321
		13	T2g	3179	2970	0.934	669	3322
C4H8	cyclobutane	2	A1	3126	2862	0.916	670	3323
		5	A1	1061	1004	0.946	670	3324
		13	B2	3120	2934	0.940	670	3325
		16	B2	651	625	0.959	670	3326
		18	E	3120	2862	0.917	670	3327
		21	E	1287	1217	0.946	670	3328
C3H6S	Thietane	6	A'	1545	1452	0.940	671	3329
		9	A'	1040	975	0.937	671	3330
		12	A'	735	700	0.953	671	3331
		15	A"	3210	2994	0.933	671	3332
		18	A"	1359	1281	0.943	671	3333
		21	A"	1077	1011	0.939	671	3334
C3H4N2	1H-Pyrazole	3	A'	3322	3137	0.944	672	3335
		6	A'	1552	1447	0.932	672	3336
		9	A'	1326	1254	0.945	672	3337
		12	A'	1096	1054	0.962	672	3338
		15	A'	939	908	0.967	672	3339
C3H3NO	Isoxazole	1	A'	3355	3140	0.936	673	3340
		4	A'	1672	1653	0.989	673	3341
		7	A'	1296	1373	1.060	673	3342
		10	A'	1078	1089	1.010	673	3343
		18	A"	603	595	0.987	673	3344
C3H4N2	1H-Imidazole	2	A'	3344	3143	0.940	674	3345
		5	A'	1623	1448	0.892	674	3346
		13	A'	1113	988	0.887	674	3347
		16	A"	837	831	0.993	674	3348
		19	A"	686	663	0.967	674	3349
C3H3NO	Oxazole	8	A'	1237	1139	0.921	675	3350
		11	A'	1113	1046	0.940	675	3351
		14	A"	858	907	1.057	675	3352
		17	A"	667	647	0.970	675	3353
C2H3N3	1H-1,2,4-Triazole	1	A'	3729			676	3354
		4	A'	1624	1540	0.948	676	3355
		7	A'	1375	1390	1.011	676	3356
		15	A"	852	885	1.039	676	3357
		18	A"	554	640	1.155	676	3358
CH2N4	1H-Tetrazole	6	A'	1324	1159	0.875	677	3359
		9	A'	1109	1002	0.904	677	3360
		12	A"	863	906	1.049	677	3361
		15	A"	580	578	0.997	677	3362
C4H4N2	Pyridazine	4	A1	1526	1414	0.927	678	3363
		7	A1	1122	1063	0.948	678	3364
		10	A2	954	936	0.981	678	3365
		13	A2	369	421	1.141	678	3366
		16	B1	388	370	0.952	678	3367
		24	B2	639	664	1.038	678	3368
C4H4N2	1,3-Diazine	2	A1	3254	3053	0.938	679	3369
		5	A1	1482	1465	0.988	679	3370
		8	A1	1039	969	0.933	679	3371
		16	B1	365	347	0.951	679	3372
		19	B2	1546	1411	0.912	679	3373
		22	B2	1177	1158	0.984	679	3374
C4H4N2	Pyrazine	3	Ag	1294	1233	0.953	680	3375
		11	B1u	1195	1130	0.946	680	3376
		14	B2g	754	756	1.003	680	3377
		17	B2u	1167	1149	0.984	680	3378
		20	B3g	1637	1525	0.932	680	3379
		23	B3u	813	785	0.966	680	3380
C3H3N3	1,3,5-Triazine	6	A2"	948	925	0.976	681	3381
		10	E'	1492	1410	0.945	681	3382
		13	E"	1050	830	0.790	681	3383
N2H4	Hydrazine	5	A	1172	1076	0.918	682	3384
		8	B	3619	3350	0.926	682	3385
		11	B	1353	1275	0.943	682	3386
C2H5SC2H5	Diethyl sulfide	3	A1	3108	2853	0.918	683	3387
		11	A1	343	334	0.973	683	3388
		14	A2	3158	2930	0.928	683	3389
		17	A2	1090			683	3390
		20	A2	79			683	3391
		23	B1	1553	1450	0.934	683	3392
		26	B1	830	780	0.939	683	3393
		34	B2	1475	1380	0.936	683	3394
		37	B2	1037	974	0.940	683	3395
CF2O	Carbonic difluoride	3	A1	583	584	1.001	684	3396
		6	B2	632	626	0.991	684	3397
CF3CN	Acetonitrile, trifluoro-	1	A1	2475	2275	0.919	685	3398
		7	E	471	463	0.984	685	3399
C2H4S	Thiirane	12	B2	3207	3013	0.939	686	3400
CH3CF3	Ethane, 1,1,1-trifluoro-	4	A1	862	828	0.961	687	3401
		7	E	3235	3042	0.940	687	3402
		10	E	1029	964	0.937	687	3403
C4H2	Diacetylene	3	Σg	917	874	0.953	688	3404
		6	Πg	615	627	1.020	688	3405
CH2CCH2	allene	3	A1	1130	1073	0.950	689	3406
		6	B2	2097	1957	0.933	689	3407
		11	E	367	355	0.968	689	3408
CH2CO	Ketene	6	B1	532	528	0.992	690	3409
		9	B2	447	433	0.969	690	3410
C5H12	Propane, 2,2-dimethyl-	1	A1	3094	2909	0.940	691	3411
		4	A2	219	198	0.904	691	3412
		6	E	1551	1451	0.936	691	3413
		9	T1	3162	2975	0.941	691	3414
C6H6	Fulvene	3	A1	3210	3008	0.937	692	3415
		14	A2	683	666	0.975	692	3416
		17	B1	902	907	1.005	692	3417
		20	B1	193			692	3418
		23	B2	3265	3075	0.942	692	3419
		26	B2	1298	1232	0.949	692	3420
CH3CCCH3	2-Butyne	10	E'	1544	1456	0.943	693	3421
		13	E"	3179	2966	0.933	693	3422
		16	E"	232	371	1.598	693	3423
ClCN	chlorocyanogen	3	Π	369	378	1.024	694	3424
C5H10	2-Butene, 2-methyl-	1	A'	3213	3024	0.941	695	3425
		9	A'	1562	1471	0.942	695	3426
C5H6	1,3-Cyclopentadiene	1	A1	3291	3091	0.939	696	3427
		4	A1	1631	1500	0.920	696	3428
		7	A1	1168	1106	0.947	696	3429
		10	A1	825	802	0.972	696	3430
		18	B1	687	664	0.967	696	3431
		21	B2	3258	3043	0.934	696	3432
		24	B2	1324	1239	0.936	696	3433
		27	B2	828	805	0.972	696	3434
CH3COF	Acetyl fluoride	2	A'	3129	2955	0.944	697	3435
		5	A'	1468	1378	0.938	697	3436
		8	A'	888	826	0.930	697	3437
		11	A"	3205	3004	0.937	697	3438
		14	A"	580	567	0.977	697	3439
CH2CHCHClCH3	1-Butene, 3-chloro-	1	A	3297	3088	0.937	698	3440
		4	A	3204	2990	0.933	698	3441
		7	A	3110	2927	0.941	698	3442
		18	A	1087	1025	0.943	698	3443
		21	A	954	931	0.976	698	3444
		24	A	665	625	0.940	698	3445
		27	A	314	305	0.973	698	3446
		30	A	98	92	0.943	698	3447
CH3CHCHCH3	2-Butene, (Z)-	2	A1	3202	2965	0.926	699	3448
		5	A1	1561	1448	0.928	699	3449
		13	A2	1093	1037	0.949	699	3450
		19	B1	1106	986	0.891	699	3451
		22	B2	3198	3033	0.948	699	3452
		25	B2	1551	1448	0.934	699	3453
CH2CCHCH3	1,2-Butadiene	7	A'	1531	1437	0.938	700	3454
		10	A'	1187	1132	0.954	700	3455
		13	A'	889	859	0.966	700	3456
		16	A"	3278	3061	0.934	700	3457
		19	A"	1101	1110	1.008	700	3458
C6H10	1,5-Hexadiene	1	Ag	3296	3082	0.935	701	3459
		4	Ag	3077	2846	0.925	701	3460
		7	Ag	1503	1416	0.942	701	3461
		15	Au	3123	2905	0.930	701	3462
		18	Au	932	912	0.979	701	3463
		24	Bg	1355	1280	0.944	701	3464
		27	Bg	930	913	0.982	701	3465
		35	Bu	1554	1445	0.930	701	3466
		38	Bu	1353	1246	0.921	701	3467
		41	Bu	527	552	1.048	701	3468
CH3F	Methyl fluoride	6	E	1226	1182	0.964	702	3469
CH3PH2	Methyl phosphine	3	A'	2459	2297	0.934	703	3470
		6	A'	1143	1086	0.950	703	3471
		9	A'	714	677	0.949	703	3472
C5H8	1,2-Butadiene, 3-methyl-	8	A1	1363	1286	0.944	704	3473
		11	A1	347	349	1.004	704	3474
		14	A2	1036	985	0.951	704	3475
		17	B1	3270	3051	0.933	704	3476
		20	B1	1138	1068	0.939	704	3477
		23	B1	263	187	0.710	704	3478
		31	B2	892	848	0.950	704	3479
CH3NO3	Methyl nitrate	2	A'	3139	2941	0.937	705	3480
		5	A'	1525	1430	0.937	705	3481
		8	A'	1111	1017	0.915	705	3482
		11	A'	615	578	0.941	705	3483
		14	A"	1537	1455	0.947	705	3484
		17	A"	231			705	3485
C5H6S	Thiophene, 3-methyl-	3	A'	3262	3062	0.939	706	3486
		6	A'	1670	1543	0.924	706	3487
		9	A'	1479	1385	0.936	706	3488
		20	A'	324	329	1.016	706	3489
		23	A"	1090	1036	0.951	706	3490
		26	A"	692	685	0.990	706	3491
		29	A"	233	238	1.023	706	3492
CH3CHCHCH3	2-Butene, (E)-	2	Ag	3175	2954	0.930	707	3493
		10	Ag	512	501	0.979	707	3494
		13	Au	1108	1057	0.954	707	3495
		19	Bg	1098	1039	0.946	707	3496
		22	Bu	3194	3021	0.946	707	3497
		30	Bu	288	261	0.907	707	3498
CH3SCH2CH3	Ethane, (methylthio)-	6	A'	1565	1461	0.934	708	3499
		9	A'	1477	1377	0.932	708	3500
		12	A'	1135	1060	0.934	708	3501
		15	A'	775	727	0.938	708	3502
		18	A'	209	227	1.086	708	3503
		26	A"	1024	954	0.931	708	3504
		29	A"	173			708	3505
CH3ONO	Methyl nitrite	1	A'	3252	3037	0.934	709	3506
		4	A'	1553	1454	0.936	709	3507
		7	A'	1106	991	0.896	709	3508
		10	A'	386	346	0.897	709	3509
CH3SSCH3	Disulfide, dimethyl	2	A	3209	2983	0.930	710	3510
		5	A	1524	1419	0.931	710	3511
		13	A	98	117	1.197	710	3512
		16	B	3119	2915	0.935	710	3513
		19	B	1431	1303	0.911	710	3514
		22	B	744	691	0.928	710	3515
C6H10	2-Hexyne	2	A'	3177	2955	0.930	711	3516
		5	A'	3096	2903	0.938	711	3517
		13	A'	1473	1382	0.938	711	3518
		16	A'	1196	1135	0.949	711	3519
		19	A'	1073	1032	0.962	711	3520
		22	A'	451	478	1.059	711	3521
		25	A'	96	115	1.202	711	3522
		33	A"	1303	1231	0.945	711	3523
		36	A"	900	866	0.962	711	3524
		39	A"	243	238	0.978	711	3525
		42	A"	21			711	3526
C3H7N	Cyclopropylamine	2	A'	3302	3100	0.939	712	3527
		5	A'	1732	1617	0.934	712	3528
		13	A'	854	805	0.943	712	3529
		16	A"	3613	3412	0.944	712	3530
		19	A"	1513	1424	0.941	712	3531
		22	A"	1178	1026	0.871	712	3532
		25	A"	878	830	0.945	712	3533
C6H8	1,3,5-Hexatriene, (E)-	8	Ag	1372	1288	0.938	713	3534
		11	Ag	970	934	0.963	713	3535
		14	Au	1050	1013	0.964	713	3536
		17	Au	706	683	0.967	713	3537
		20	Bg	1024	988	0.965	713	3538
		23	Bg	610			713	3539
		31	Bu	1363	1295	0.950	713	3540
		34	Bu	1002	963	0.962	713	3541
C4H6	Cyclobutene	1	A1	3275	3060	0.934	714	3542
		4	A1	1559	1450	0.930	714	3543
		7	A1	1039	1113	1.071	714	3544
		10	A2	1210	1276	1.055	714	3545
		13	A2	309	325	1.050	714	3546
		24	B2	875	740	0.845	714	3547
H2CS	Thioformaldehyde	2	A1	1571	1456	0.927	715	3548
		5	B2	3259	3025	0.928	715	3549
CH3SiH3	methyl silane	6	A2	199	187	0.941	716	3550
		8	E	2288	2169	0.948	716	3551
		11	E	932	868	0.931	716	3552
C4N2	2-Butynedinitrile	2	Σg	2306	2119	0.919	717	3553
		5	Σu	1186	1154	0.973	717	3554
		7	Πg	278	263	0.948	717	3555
MgO	magnesium oxide	1	Σ	783	785	1.002	718	3556
LiOH	lithium hydroxide	2	Σ	1012	871	0.860	719	3557
NaOH	sodium hydroxide	3	Π	182	300	1.649	720	3558
CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	7	A	3114	2918	0.937	721	3559
		10	A	3098	2867	0.925	721	3560
		13	A	1550	1448	0.934	721	3561
		16	A	1528	1448	0.948	721	3562
		19	A	1439	1339	0.931	721	3563
		27	A	1000			721	3564
		30	A	771	724	0.939	721	3565
		33	A	359	336	0.935	721	3566
		36	A	241			721	3567
		39	A	64			721	3568
Si2H6	disilane	3	A1g	455	434	0.953	722	3569
		6	A2u	875	844	0.964	722	3570
		8	Eg	956	929	0.972	722	3571
		11	Eu	972	940	0.966	722	3572
CCl2	dichloromethylene	3	B2	793	758	0.956	723	3573
C5H10S	2H-Thiopyran, tetrahydro-	5	A'	3093	2878	0.931	724	3574
		8	A'	1549	1440	0.929	724	3575
		11	A'	1398	1299	0.929	724	3576
		14	A'	1132	1061	0.937	724	3577
		17	A'	866	826	0.953	724	3578
		25	A"	3140	2929	0.933	724	3579
		28	A"	1542	1433	0.929	724	3580
		31	A"	1419	1313	0.925	724	3581
		34	A"	1214	1141	0.940	724	3582
		37	A"	981	929	0.947	724	3583
C5H8	1,3-Pentadiene, (E)-	5	A'	3189	3015	0.945	725	3584
		8	A'	1796	1661	0.925	725	3585
		11	A'	1501	1422	0.948	725	3586
		14	A'	1360	1299	0.955	725	3587
		17	A'	1136	1037	0.913	725	3588
		28	A"	920	899	0.978	725	3589
		31	A"	252	361	1.435	725	3590
CH2NH	Methanimine	4	A'	1758	1638	0.932	726	3591
		7	A'	1104	1058	0.959	726	3592
CF2	Difluoromethylene	2	A1	680	667	0.981	727	3593
		2	A1	516	667	1.292	727	3594
CF3	Trifluoromethyl radical	3	E	1352	1260	0.932	728	3595
C4H9N	Cyclobutylamine	1	A'	3514	3345	0.952	729	3596
		4	A'	3141	2918	0.929	729	3597
		7	A'	1729	1614	0.934	729	3598
		10	A'	1444	1390	0.962	729	3599
		18	A'	865	752	0.869	729	3600
		21	A'	189	174	0.921	729	3601
		24	A"	3117	2957	0.949	729	3602
		27	A"	1319	1185	0.898	729	3603
		30	A"	1202			729	3604
		33	A"	955	883	0.924	729	3605
SF6	Sulfur Hexafluoride	2	Eg	688	642	0.932	730	3606
HCO	Formyl radical	3	A'	1149	1081	0.940	731	3607
ClNO	Nitrosyl chloride	1	A'	1954	1800	0.921	732	3608
C3H4	cyclopropene	3	A1	1777	1653	0.930	733	3609
		6	A1	964	905	0.939	733	3610
		9	B1	3196	2995	0.937	733	3611
		12	B2	3332	3124	0.938	733	3612
		15	B2	831	769	0.926	733	3613
C4H8O	Cyclobutanol	3	A'	3179	2979	0.937	734	3614
		6	A'	3110	2875	0.924	734	3615
		9	A'	1489	1393	0.936	734	3616
		17	A'	786	750	0.954	734	3617

How do we calculate the scaling factor?