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

Vibrational frequency scaling factors

Calculated vibrational frequencies ("theory" in table) are calculated at QCISD/6-311G**

Scale factor	How many		Source
	Molecules	Vibrations
0.954 ± 0.020	302	3269	cccbdb

Jump to histogram

Formula	Name	Mode	Symmetry	Frequency			Count
				Theory	Experiment	ratio	molecules	vibrations
H2CO	Formaldehyde	2	A1	1813	1746	0.963	1	1
		5	B2	3003	2843	0.947	1	2
CCl4	Carbon tetrachloride	1	A1	471	459	0.974	2	3
		2	E	233	217	0.932	2	4
		3	T2	825	776	0.941	2	5
		4	T2	331	314	0.948	2	6
C3H4O2	β–Propiolactone	1	A'	3121	3001	0.962	3	7
		4	A'	1553	1475	0.950	3	8
		7	A'	1248	1199	0.961	3	9
		9	A'	1038	1005	0.968	3	10
		10	A'	990	924	0.934	3	11
		12	A'	767	746	0.972	3	12
		13	A'	503	513	1.019	3	13
		15	A"	3172	3000	0.946	3	14
		16	A"	1220	1184	0.970	3	15
		18	A"	1076	1046	0.972	3	16
		21	A"	173	113	0.652	3	17
CH3CH2OH	Ethanol	1	A'	3921	3653	0.932	4	18
		3	A'	3059	2939	0.961	4	19
		6	A'	1526	1464	0.959	4	20
		9	A'	1312	1256	0.958	4	21
		12	A'	925	888	0.960	4	22
		14	A"	3144	2991	0.952	4	23
		15	A"	3044	2910	0.956	4	24
		17	A"	1326	1275	0.961	4	25
		18	A"	1207	1161	0.962	4	26
		20	A"	285			4	27
		21	A"	234			4	28
HCOOH	Formic acid	1	A'	3836	3570	0.931	5	29
		3	A'	1859	1770	0.952	5	30
		4	A'	1443	1387	0.961	5	31
		6	A'	1163	1105	0.950	5	32
		7	A'	642	625	0.973	5	33
		9	A"	687	638	0.929	5	34
CH3COOH	Acetic acid	1	A'	3851	3583	0.930	6	35
		4	A'	1871	1788	0.956	6	36
		7	A'	1377	1264	0.918	6	37
		10	A'	882	847	0.960	6	38
		12	A'	425			6	39
		13	A"	3153	2996	0.950	6	40
		15	A"	1084	1048	0.967	6	41
		16	A"	663	642	0.968	6	42
		18	A"	84	93	1.102	6	43
CH3OH	Methyl alcohol	2	A'	3144	3000	0.954	7	44
		5	A'	1518	1455	0.959	7	45
		8	A'	1093	1033	0.945	7	46
		10	A"	1516	1477	0.974	7	47
		11	A"	1197	1165	0.974	7	48
CHCl3	Chloroform	2	A1	689	680	0.987	8	49
		6	E	276	260	0.941	8	50
C2H6O2S	Dimethyl sulfone	1	A1	3191	3018	0.946	9	51
		3	A1	1483	1451	0.978	9	52
		6	A1	1030	1013	0.983	9	53
		9	A1	277	294	1.061	9	54
		12	A2	954	937	0.982	9	55
		14	A2	175			9	56
		15	B1	3198	3025	0.946	9	57
		17	B1	1350	1269	0.940	9	58
		18	B1	1018	986	0.969	9	59
		20	B1	219	262	1.196	9	60
		21	B2	3190	3017	0.946	9	61
		23	B2	1473	1438	0.976	9	62
		26	B2	772	771	0.999	9	63
C6H6	Benzene	3	A2g	1380	1326	0.961	10	64
		5	B1u	3183	3068	0.964	10	65
		6	B1u	1009	1010	1.001	10	66
		8	B2g	512	703	1.374	10	67
		9	B2u	1293	1310	1.013	10	68
		11	E1g	855	849	0.993	10	69
		13	E1u	1523	1486	0.976	10	70
		14	E1u	1065	1038	0.975	10	71
		17	E2g	1202	1178	0.980	10	72
		20	E2u	396	410	1.035	10	73
CH3CCl3	Ethane, 1,1,1-trichloro-	2	A1	1454	1386	0.953	11	74
		4	A1	542	526	0.970	11	75
		5	A1	361	344	0.953	11	76
		7	E	3175	3014	0.949	11	77
		9	E	1133	1088	0.960	11	78
		10	E	769	724	0.941	11	79
CH4	Methane	1	A1	3046	2917	0.958	12	80
		3	T2	3166	3019	0.954	12	81
C2H6	Ethane	2	A1g	1457	1388	0.953	13	82
		4	A1u	327	289	0.884	13	83
		5	A2u	3051	2915	0.956	13	84
		7	Eg	3111	2969	0.954	13	85
		9	Eg	1244	1190	0.957	13	86
		10	Eu	3134	2974	0.949	13	87
C2H4	Ethylene	2	Ag	1691	1623	0.960	14	88
		5	B1u	3149	2989	0.949	14	89
		8	B2u	3256	3105	0.954	14	90
		11	B3g	1241	1217	0.981	14	91
C2H2	Acetylene	2	Σg	2024	1974	0.975	15	92
		4	Πg	577	612	1.061	15	93
CH3Cl	Methyl chloride	2	A1	1438	1355	0.942	16	94
		6	E	1060	1015	0.958	16	95
CH3NH2	methyl amine	1	A'	3528	3361	0.953	17	96
		4	A'	1676	1623	0.968	17	97
		7	A'	1207	1130	0.936	17	98
		10	A"	3608	3427	0.950	17	99
		13	A"	1379	1335	0.968	17	100
		15	A"	333	268	0.804	17	101
HCN	Hydrogen cyanide	1	Σ	3476	3312	0.953	18	102
		2	Σ	2149	2089	0.972	18	103
CH3SH	Methanethiol	3	A'	2757	2597	0.942	19	104
		6	A'	1130	1074	0.951	19	105
		9	A"	3166	3000	0.948	19	106
		11	A"	1010	976	0.967	19	107
C3H8	Propane	1	A1	3123	2977	0.953	20	108
		3	A1	3045	2887	0.948	20	109
		4	A1	1535	1476	0.962	20	110
		6	A1	1447	1392	0.962	20	111
		7	A1	1199	1158	0.966	20	112
		9	A1	369	369	1.000	20	113
		10	A2	3110	2967	0.954	20	114
		12	A2	1336	1278	0.957	20	115
		15	B1	3122	2973	0.952	20	116
		18	B1	1239	1192	0.962	20	117
		21	B2	3120	2968	0.951	20	118
		23	B2	1520	1464	0.963	20	119
		24	B2	1438	1378	0.958	20	120
		26	B2	1089	1054	0.968	20	121
		27	B2	944	922	0.977	20	122
CH3CH2Cl	Ethyl chloride	3	A'	3060	2881	0.942	21	123
		5	A'	1509	1448	0.959	21	124
		6	A'	1446	1385	0.958	21	125
		8	A'	1113	1081	0.972	21	126
		9	A'	1012	974	0.962	21	127
		11	A'	340	336	0.988	21	128
		12	A"	3173	3014	0.950	21	129
		14	A"	1506	1448	0.961	21	130
		17	A"	803	786	0.979	21	131
CH2CHCl	Ethene, chloro-	1	A'	3273	3121	0.953	22	132
		3	A'	3176	3030	0.954	22	133
		6	A'	1326	1279	0.964	22	134
		9	A'	402	395	0.982	22	135
		12	A"	625	620	0.991	22	136
CH2CHF	Ethene, fluoro-	1	A'	3295	3115	0.945	23	137
		3	A'	3192	3052	0.956	23	138
		4	A'	1728	1654	0.957	23	139
		6	A'	1344	1306	0.972	23	140
		7	A'	1190	1156	0.971	23	141
		9	A'	484	483	0.997	23	142
		10	A"	969	940	0.970	23	143
		12	A"	731	711	0.973	23	144
CH3CH2NH2	Ethylamine	1	A'	3511	3345	0.953	24	145
		4	A'	3037	2860	0.942	24	146
		6	A'	1528	1487	0.973	24	147
		7	A'	1508	1465	0.971	24	148
		9	A'	1407	1397	0.993	24	149
		10	A'	1181	1016	0.860	24	150
		12	A'	937	892	0.952	24	151
		13	A'	897	773	0.862	24	152
		15	A"	3590	3412	0.950	24	153
		18	A"	1516	1455	0.960	24	154
		21	A"	1026	1117	1.089	24	155
		24	A"	259	218	0.840	24	156
CH3CN	Acetonitrile	1	A1	3083	2954	0.958	25	157
		2	A1	2343	2267	0.968	25	158
		4	A1	930	920	0.989	25	159
		6	E	1503	1448	0.963	25	160
CH3CHO	Acetaldehyde	1	A'	3170	3014	0.951	26	161
		3	A'	2935	2716	0.925	26	162
		4	A'	1827	1743	0.954	26	163
		6	A'	1450	1395	0.962	26	164
		7	A'	1404	1352	0.963	26	165
		9	A'	903	867	0.960	26	166
		12	A"	1496	1431	0.956	26	167
		15	A"	157	150	0.956	26	168
CH3CH2SH	ethanethiol	2	A'	3087	2872	0.930	27	169
		5	A'	1524	1453	0.953	27	170
		8	A'	1355	1309	0.966	27	171
		10	A'	1022	978	0.957	27	172
		11	A'	899	870	0.968	27	173
		13	A'	313	332	1.062	27	174
		14	A"	3148	2966	0.942	27	175
		16	A"	1511	1453	0.961	27	176
		17	A"	1297	1269	0.978	27	177
		19	A"	809	745	0.921	27	178
CH2Cl2	Methylene chloride	2	A1	1482	1467	0.990	28	179
		3	A1	738	717	0.971	28	180
		5	A2	1227	1153	0.940	28	181
		6	B1	3223	3040	0.943	28	182
		8	B2	1358	1268	0.934	28	183
		9	B2	804	758	0.943	28	184
CH2F2	Methane, difluoro-	1	A1	3102	2948	0.950	29	185
		2	A1	1567	1508	0.963	29	186
		4	A1	539	529	0.980	29	187
		5	A2	1313	1262	0.961	29	188
		7	B1	1212	1178	0.972	29	189
		8	B2	1520	1435	0.944	29	190
HNCO	Isocyanic acid	2	A'	2335	2269	0.972	30	191
		5	A'	559	577	1.034	30	192
CS2	Carbon disulfide	1	Σg	678	658	0.970	31	193
		2	Σu	1558	1535	0.985	31	194
CH3SCH3	Dimethyl sulfide	2	A1	3057	2930	0.958	32	195
		5	A1	1076	973	0.904	32	196
		8	A2	3140	2952	0.940	32	197
		10	A2	980	919	0.938	32	198
		13	B1	1482	1439	0.971	32	199
		14	B1	1025	973	0.950	32	200
		16	B2	3156	2998	0.950	32	201
		17	B2	3059	2930	0.958	32	202
		19	B2	1392	1315	0.945	32	203
C3H6	Cyclopropane	2	A1'	1553	1479	0.952	33	204
		3	A1'	1233	1188	0.963	33	205
		5	A2'	1112	1070	0.962	33	206
		6	A2"	3258	3103	0.952	33	207
		8	E'	3155	3025	0.959	33	208
		11	E'	908	866	0.954	33	209
		14	E"	761	739	0.971	33	210
C2H4O	Ethylene oxide	3	A1	1324	1271	0.960	34	211
		6	A2	3208	3063	0.955	34	212
		8	A2	1066	860	0.806	34	213
		9	B1	3222	3065	0.951	34	214
		11	B1	831	822	0.989	34	215
		12	B2	3122	3006	0.963	34	216
		14	B2	1172	1151	0.982	34	217
		15	B2	877	892	1.018	34	218
CH3CH(CH3)CH3	Isobutane	2	A1	3042	2904	0.955	35	219
		5	A1	1453	1394	0.960	35	220
		7	A1	819	797	0.974	35	221
		8	A1	434	426	0.982	35	222
		10	A2	1505	1475	0.980	35	223
		11	A2	970	966	0.996	35	224
		13	E	3119	2962	0.950	35	225
		16	E	1529	1477	0.966	35	226
		19	E	1385	1330	0.960	35	227
		20	E	1218	1166	0.958	35	228
		22	E	938	918	0.979	35	229
		23	E	367	367	1.000	35	230
CH3CHClCH3	Propane, 2-chloro-	2	A'	3136	2955	0.942	36	231
		3	A'	3114	2927	0.940	36	232
		5	A'	1523	1472	0.966	36	233
		8	A'	1343	1270	0.946	36	234
		11	A'	926	888	0.958	36	235
		14	A'	346	336	0.972	36	236
		16	A"	3148	2997	0.952	36	237
		17	A"	3128	2985	0.954	36	238
		19	A"	1505	1472	0.978	36	239
		20	A"	1503	1454	0.967	36	240
		22	A"	1379	1334	0.967	36	241
		23	A"	1175	1123	0.955	36	242
		25	A"	955	936	0.980	36	243
CH2CCl2	Ethene, 1,1-dichloro-	1	A1	3193	3035	0.951	37	244
		4	A1	616	603	0.979	37	245
		7	B1	891	875	0.982	37	246
		10	B2	1126	1095	0.973	37	247
		12	B2	383	372	0.970	37	248
CH3COCl	Acetyl Chloride	3	A'	1895	1818	0.960	38	249
		5	A'	1422	1368	0.962	38	250
		6	A'	1145	1108	0.968	38	251
		8	A'	627	604	0.963	38	252
		9	A'	461	445	0.965	38	253
		11	A"	3162	2990	0.946	38	254
		12	A"	1496	1431	0.957	38	255
		14	A"	526	518	0.985	38	256
CH3CHF2	Ethane, 1,1-difluoro-	1	A'	3166	3015	0.952	39	257
		3	A'	3074	2964	0.964	39	258
		6	A'	1416	1357	0.958	39	259
		9	A'	892	868	0.973	39	260
		12	A"	3162			39	261
		14	A"	1442	1362	0.944	39	262
		15	A"	1199	1135	0.946	39	263
		17	A"	389			39	264
		18	A"	258			39	265
CH2CF2	Ethene, 1,1-difluoro-	2	A1	1807	1728	0.956	40	266
		4	A1	947	926	0.978	40	267
		5	A1	556	550	0.989	40	268
		7	B1	823	803	0.976	40	269
		8	B1	634	611	0.964	40	270
		10	B2	1363	1302	0.955	40	271
		11	B2	980	955	0.974	40	272
CCl2O	Phosgene	1	A1	1889	1827	0.967	41	273
		3	A1	315	285	0.906	41	274
		4	B1	595	580	0.975	41	275
		6	B2	460	440	0.957	41	276
CHF3	Methane, trifluoro-	2	A1	1167	1117	0.957	42	277
		3	A1	712	700	0.983	42	278
		5	E	1220	1152	0.944	42	279
		6	E	519	507	0.978	42	280
CFCl3	Trichloromonofluoromethane	1	A1	1143	1085	0.949	43	281
		3	A1	366	350	0.957	43	282
		5	E	414	394	0.953	43	283
CF2Cl2	difluorodichloromethane	2	A1	683	667	0.977	44	284
		3	A1	470	458	0.975	44	285
		5	A2	336	322	0.958	44	286
		6	B1	958	902	0.942	44	287
		8	B2	1228	1159	0.944	44	288
		9	B2	446	446	0.999	44	289
CF3Cl	Methane, chlorotrifluoro-	1	A1	1155	1105	0.956	45	290
		3	A1	488	476	0.976	45	291
		5	E	572	563	0.984	45	292
CF4	Carbon tetrafluoride	1	A1	926	909	0.982	46	293
		3	T2	1343	1280	0.953	46	294
		4	T2	641	631	0.984	46	295
C2F6	hexafluoroethane	1	A1g	1487	1420	0.955	47	296
		3	A1g	358	349	0.975	47	297
		4	A1u	70	68	0.973	47	298
		6	A2u	725	714	0.985	47	299
		7	Eg	1299	1237	0.952	47	300
		8	Eg	630	620	0.984	47	301
		11	Eu	532	523	0.982	47	302
C5H8	1,3-Butadiene, 2-methyl-	1	A'	3254	3095	0.951	48	303
		3	A'	3175	3000	0.945	48	304
		4	A'	3162	3000	0.949	48	305
		6	A'	3142	2984	0.950	48	306
		7	A'	3050	2904	0.952	48	307
		9	A'	1671	1607	0.962	48	308
		12	A'	1453	1389	0.956	48	309
		15	A'	1329	1303	0.981	48	310
		18	A'	975	953	0.977	48	311
		20	A'	532	530	0.996	48	312
		21	A'	421	396	0.940	48	313
		23	A"	3112	2949	0.948	48	314
		24	A"	1505	1451	0.964	48	315
		26	A"	1009	991	0.982	48	316
		27	A"	906	907	1.002	48	317
		29	A"	768	757	0.986	48	318
		32	A"	208	153	0.736	48	319
CHOCH(CH3)CH3	Propanal, 2-methyl-	1	A'	3131	2974	0.950	49	320
		4	A'	3047	2876	0.944	49	321
		6	A'	1822	1752	0.961	49	322
		7	A'	1531	1474	0.963	49	323
		9	A'	1448	1399	0.966	49	324
		10	A'	1436	1381	0.961	49	325
		12	A'	1209	1182	0.977	49	326
		13	A'	1200	1138	0.948	49	327
		15	A'	858	800	0.933	49	328
		16	A'	549	632	1.150	49	329
		18	A'	333	272	0.818	49	330
		21	A"	3116	2982	0.957	49	331
		24	A"	1509	1452	0.962	49	332
		27	A"	1165	1109	0.952	49	333
		29	A"	967	942	0.974	49	334
		30	A"	942	933	0.990	49	335
		32	A"	206	227	1.101	49	336
		33	A"	55	75	1.361	49	337
CH2ClCHClCH3	Propane, 1,2-dichloro-	1	A	3191	3022	0.947	50	338
		2	A	3158	3004	0.951	50	339
		4	A	3133	2970	0.948	50	340
		5	A	3122	2949	0.944	50	341
		7	A	1516	1462	0.965	50	342
		10	A	1450	1391	0.960	50	343
		13	A	1316	1238	0.941	50	344
		16	A	1128	1076	0.954	50	345
		18	A	941	890	0.946	50	346
		19	A	901	850	0.943	50	347
		21	A	720	685	0.951	50	348
		22	A	417	417	1.001	50	349
		24	A	294	285	0.969	50	350
		25	A	263	250	0.952	50	351
		27	A	114	108	0.944	50	352
CHClCCl2	Trichloroethylene	2	A'	1677	1586	0.946	51	353
		3	A'	1313	1247	0.950	51	354
		5	A'	873	840	0.962	51	355
		6	A'	643	630	0.979	51	356
		8	A'	287	277	0.964	51	357
		11	A"	466	451	0.968	51	358
CH3COOCH3	methyl acetate	2	A'	3188	3031	0.951	52	359
		4	A'	3077	2964	0.963	52	360
		5	A'	1851	1771	0.957	52	361
		7	A'	1505	1440	0.957	52	362
		8	A'	1496	1430	0.956	52	363
		10	A'	1310	1248	0.953	52	364
		11	A'	1235	1159	0.938	52	365
		13	A'	1007	980	0.973	52	366
		16	A'	430	429	0.997	52	367
		19	A"	3152	2994	0.950	52	368
		22	A"	1204	1187	0.986	52	369
		24	A"	608	607	0.999	52	370
		25	A"	183	187	1.023	52	371
		27	A"	54	110	2.018	52	372
C6H5CHO	benzaldehyde	1	A'	3225	3099	0.961	53	373
		3	A'	3207	3081	0.961	53	374
		4	A'	3195	3043	0.953	53	375
		6	A'	2946	2806	0.953	53	376
		9	A'	1656	1603	0.968	53	377
		12	A'	1437	1387	0.965	53	378
		15	A'	1236	1202	0.973	53	379
		17	A'	1177	1158	0.984	53	380
		18	A'	1105	1074	0.972	53	381
		20	A'	1012	996	0.984	53	382
		21	A'	839	825	0.984	53	383
		23	A'	626	617	0.986	53	384
		24	A'	440	437	0.993	53	385
		26	A"	1025	1003	0.979	53	386
		27	A"	951	996	1.047	53	387
		29	A"	906	918	1.014	53	388
		32	A"	518	688	1.327	53	389
		35	A"	230	217	0.944	53	390
CH3CH2CH2CH3	Butane	1	Ag	3120	2965	0.950	54	391
		3	Ag	3034	2853	0.940	54	392
		4	Ag	1528	1460	0.956	54	393
		6	Ag	1443	1382	0.958	54	394
		7	Ag	1427	1361	0.954	54	395
		9	Ag	1098	1059	0.965	54	396
		10	Ag	860	837	0.973	54	397
		12	Au	3119	2968	0.952	54	398
		15	Au	1310	1257	0.959	54	399
		18	Au	227	194	0.855	54	400
		21	Bg	3062	2912	0.951	54	401
		23	Bg	1348	1300	0.964	54	402
		24	Bg	1234	1180	0.957	54	403
		26	Bg	259	225	0.867	54	404
		27	Bu	3121	2968	0.951	54	405
		29	Bu	3040	2853	0.938	54	406
		30	Bu	1533	1461	0.953	54	407
		32	Bu	1439	1379	0.958	54	408
		33	Bu	1339	1290	0.963	54	409
		35	Bu	992	964	0.972	54	410
CH2CHCHCH2	1,3-Butadiene	3	Ag	3155	2992	0.948	55	411
		6	Ag	1320	1280	0.970	55	412
		9	Ag	514	512	0.996	55	413
		11	Au	910	908	0.998	55	414
		12	Au	525	522	0.994	55	415
		14	Bg	985	976	0.991	55	416
		15	Bg	910	912	1.003	55	417
		17	Bu	3251	3101	0.954	55	418
		18	Bu	3172	3055	0.963	55	419
		20	Bu	1660	1596	0.962	55	420
		23	Bu	1005	990	0.985	55	421
CHCCH2CH3	1-Butyne	1	A'	3490	3332	0.955	56	422
		2	A'	3137	2988	0.953	56	423
		4	A'	3059			56	424
		5	A'	2200	2116	0.962	56	425
		7	A'	1508	1446	0.959	56	426
		10	A'	1111	1070	0.963	56	427
		13	A'	665	634	0.953	56	428
		16	A"	3144	2988	0.950	56	429
		18	A"	1519	1462	0.962	56	430
		19	A"	1311	1261	0.962	56	431
		21	A"	799	782	0.978	56	432
		22	A"	659	630	0.956	56	433
		24	A"	225	213	0.948	56	434
CH2ClCH2Cl	Ethane, 1,2-dichloro-	2	Ag	1509	1445	0.958	57	435
		4	Ag	1096	1052	0.959	57	436
		5	Ag	815	754	0.925	57	437
		7	Au	3200	3005	0.939	57	438
		8	Au	1198	1123	0.937	57	439
		10	Au	131	123	0.940	57	440
		11	Bg	3179	3005	0.945	57	441
		13	Bg	1054	989	0.938	57	442
		16	Bu	1315	1232	0.937	57	443
C3H3N	acrylonitrile	1	A'	3275	3125	0.954	58	444
		4	A'	2323	2239	0.964	58	445
		7	A'	1325	1282	0.967	58	446
		10	A'	571	570	0.999	58	447
		12	A"	998	972	0.974	58	448
		13	A"	964	954	0.989	58	449
		15	A"	345	362	1.050	58	450
C3H6O	2-Propen-1-ol	1	A	3919	3675	0.938	59	451
		3	A	3181	3022	0.950	59	452
		4	A	3156	2995	0.949	59	453
		6	A	3009	2866	0.953	59	454
		7	A	1724	1654	0.959	59	455
		9	A	1505	1414	0.940	59	456
		12	A	1307	1293	0.989	59	457
		15	A	1108	1110	1.002	59	458
		18	A	932	919	0.986	59	459
		21	A	448	554	1.236	59	460
		23	A	261	277	1.062	59	461
		24	A	115	188	1.642	59	462
C2H2O2	Ethanedial	2	Ag	1828	1745	0.955	60	463
		3	Ag	1402	1338	0.955	60	464
		5	Ag	565	551	0.975	60	465
		6	Au	832	801	0.963	60	466
		8	Bg	1078	1048	0.972	60	467
		11	Bu	1355	1312	0.968	60	468
CH3OCHO	methyl formate	2	A'	3095	2969	0.959	61	469
		5	A'	1526	1454	0.953	61	470
		7	A'	1427	1371	0.961	61	471
		8	A'	1264	1207	0.955	61	472
		10	A'	976	925	0.948	61	473
		11	A'	789	767	0.972	61	474
		13	A"	3159	3012	0.953	61	475
		14	A"	1511	1443	0.955	61	476
		16	A"	1064	1032	0.970	61	477
C6H5Cl	chlorobenzene	1	A1	3230	3084	0.955	62	478
		2	A1	3218	3054	0.949	62	479
		4	A1	1656	1586	0.958	62	480
		5	A1	1527	1483	0.971	62	481
		7	A1	1133	1092	0.964	62	482
		8	A1	1048	1025	0.979	62	483
		10	A1	718	706	0.983	62	484
		13	A2	838	832	0.993	62	485
		16	B1	879	902	1.026	62	486
		19	B1	454	467	1.029	62	487
		22	B2	3205	3067	0.957	62	488
		24	B2	1488	1448	0.973	62	489
		25	B2	1344	1326	0.987	62	490
		27	B2	1173	1157	0.986	62	491
		28	B2	1103	1068	0.969	62	492
		30	B2	296	295	0.994	62	493
C5H12	Pentane	1	A1	3120	2973	0.953	63	494
		4	A1	3025	2866	0.947	63	495
		7	A1	1510	1450	0.960	63	496
		10	A1	1184	1144	0.966	63	497
		12	A1	890	867	0.974	63	498
		13	A1	402	401	0.997	63	499
		15	A2	3116	2967	0.952	63	500
		16	A2	3071	2908	0.947	63	501
		18	A2	1346	1346	1.000	63	502
		19	A2	1288	1269	0.985	63	503
		21	A2	775	766	0.988	63	504
		24	B1	3118	2965	0.951	63	505
		27	B1	1521	1469	0.966	63	506
		30	B1	878	858	0.977	63	507
		32	B1	241	215	0.891	63	508
		33	B1	112	88	0.787	63	509
		35	B2	3043	2879	0.946	63	510
		36	B2	3036	2866	0.944	63	511
		38	B2	1512	1456	0.963	63	512
		39	B2	1444	1389	0.962	63	513
		41	B2	1303	1269	0.974	63	514
		44	B2	947	910	0.961	63	515
CH3CH2CH2CN	Butanenitrile	2	A'	3076	2895	0.941	64	516
		5	A'	2333	2263	0.970	64	517
		7	A'	1517	1457	0.961	64	518
		8	A'	1501	1438	0.958	64	519
		10	A'	1421	1346	0.947	64	520
		11	A'	1322	1334	1.009	64	521
		13	A'	1079	1053	0.976	64	522
		14	A'	969	920	0.950	64	523
		16	A'	530	551	1.040	64	524
		19	A"	3133	2986	0.953	64	525
		22	A"	1522	1469	0.965	64	526
		25	A"	1147	1083	0.944	64	527
		28	A"	381	370	0.970	64	528
		30	A"	97			64	529
C3H2N2	Malononitrile	1	A1	3095	2935	0.948	65	530
		2	A1	2347	2275	0.969	65	531
		4	A1	907	890	0.982	65	532
		5	A1	582	582	1.000	65	533
		7	A2	1263	1220	0.966	65	534
		10	B1	955	933	0.977	65	535
		13	B2	1367	1318	0.964	65	536
C4H5N	Pyrrole	2	A1	3289	3149	0.957	66	537
		5	A1	1440	1401	0.973	66	538
		8	A1	1043	1017	0.975	66	539
		11	A2	690	692	1.004	66	540
		13	B1	824	827	1.004	66	541
		14	B1	732	722	0.987	66	542
		16	B1	405	475	1.172	66	543
		17	B2	3282	3143	0.958	66	544
		19	B2	1600	1519	0.949	66	545
		20	B2	1493	1424	0.954	66	546
		22	B2	1174	1134	0.966	66	547
		23	B2	1079	1049	0.972	66	548
C4H8O	Furan, tetrahydro-	1	A	3129	2962	0.946	67	549
		2	A	3105	2941	0.947	67	550
		4	A	3032	2875	0.948	67	551
		7	A	1437	1365	0.949	67	552
		10	A	1220	1178	0.966	67	553
		13	A	954	919	0.964	67	554
		15	A	864	840	0.972	67	555
		16	A	672	657	0.978	67	556
		18	B	3139	2972	0.947	67	557
		19	B	3103	2934	0.945	67	558
		21	B	3027	2858	0.944	67	559
		22	B	1552	1477	0.952	67	560
		24	B	1399	1334	0.953	67	561
		27	B	1214	1162	0.957	67	562
		30	B	929	910	0.980	67	563
		33	B	17	137	8.138	67	564
C4H4O	Furan	2	A1	3280	3140	0.957	68	565
		5	A1	1173	1140	0.972	68	566
		8	A1	888	871	0.981	68	567
		10	A2	738	728	0.986	68	568
		11	A2	582	603	1.037	68	569
		13	B1	766	745	0.973	68	570
		14	B1	611	613	1.003	68	571
		16	B2	3268	3129	0.957	68	572
		17	B2	1621	1556	0.960	68	573
		19	B2	1238	1180	0.953	68	574
C4H4S	Thiophene	1	A1	3272	3126	0.955	69	575
		3	A1	1472	1409	0.957	69	576
		6	A1	1057	1036	0.980	69	577
		9	A2	872	867	0.994	69	578
		12	B1	870	839	0.964	69	579
		14	B1	443	452	1.021	69	580
		15	B2	3269	3125	0.956	69	581
		17	B2	1586	1504	0.948	69	582
		18	B2	1297	1256	0.968	69	583
		20	B2	894	903	1.010	69	584
		21	B2	766	751	0.980	69	585
C4H4N2	Succinonitrile	1	Ag	3093	2947	0.953	70	586
		2	Ag	2337	2254	0.964	70	587
		4	Ag	1420	1328	0.935	70	588
		7	Ag	514	508	0.988	70	589
		10	Au	1229	1197	0.974	70	590
		13	Au	79			70	591
		15	Bg	1337	1226	0.917	70	592
		16	Bg	1055	951	0.901	70	593
		18	Bu	3100	2965	0.957	70	594
		19	Bu	2339	2255	0.964	70	595
		21	Bu	1306	1270	0.973	70	596
		22	Bu	937	917	0.979	70	597
		24	Bu	131			70	598
C5H5N	Pyridine	1	A1	3227	3094	0.959	71	599
		4	A1	1657	1584	0.956	71	600
		6	A1	1252	1218	0.973	71	601
		7	A1	1099	1072	0.975	71	602
		9	A1	1013	991	0.979	71	603
		10	A1	611	601	0.984	71	604
		12	A2	896	880	0.983	71	605
		13	A2	377	373	0.990	71	606
		15	B1	952	937	0.983	71	607
		16	B1	744	744	1.000	71	608
		18	B1	405	403	0.996	71	609
		21	B2	1646	1581	0.960	71	610
		24	B2	1234	1227	0.994	71	611
		27	B2	664	652	0.981	71	612
C3H6O3	1,3,5-Trioxane	3	A1	1555	1477	0.950	72	613
		6	A1	780	749	0.960	72	614
		8	A2	1434			72	615
		9	A2	1285	1255	0.976	72	616
		11	E	3185	3020	0.948	72	617
		13	E	1538	1477	0.960	72	618
		14	E	1490	1412	0.948	72	619
		17	E	1110	1068	0.962	72	620
		20	E	310	307	0.991	72	621
C5H11N	Piperidine	1	A'	3556	3341	0.939	73	622
		2	A'	3105	2947	0.949	73	623
		4	A'	3087	2917	0.945	73	624
		5	A'	3052	2892	0.948	73	625
		7	A'	2949	2730	0.926	73	626
		10	A'	1505	1444	0.960	73	627
		13	A'	1336	1346	1.008	73	628
		16	A'	1083	1035	0.956	73	629
		18	A'	928	906	0.976	73	630
		19	A'	890	853	0.959	73	631
		21	A'	806	743	0.922	73	632
		22	A'	551	546	0.991	73	633
		24	A'	410	404	0.986	73	634
		25	A'	250	246	0.983	73	635
		27	A"	3090	2902	0.939	73	636
		30	A"	1523	1468	0.964	73	637
		33	A"	1412	1332	0.943	73	638
		36	A"	1313	1258	0.958	73	639
		38	A"	1186	1146	0.966	73	640
		39	A"	1171	1115	0.952	73	641
		41	A"	990	964	0.974	73	642
		42	A"	901	874	0.970	73	643
		44	A"	442	445	1.006	73	644
		45	A"	252	254	1.010	73	645
CH2CHCH3	Propene	3	A'	3150	2991	0.950	74	646
		6	A'	1720	1650	0.959	74	647
		8	A'	1471	1420	0.966	74	648
		9	A'	1430	1378	0.964	74	649
		11	A'	1202	1171	0.974	74	650
		12	A'	953	963	1.010	74	651
		14	A'	424	428	1.009	74	652
		15	A"	3105	2954	0.951	74	653
		17	A"	1080	1045	0.968	74	654
		18	A"	1020	991	0.972	74	655
		20	A"	582	578	0.992	74	656
CH3OCH3	Dimethyl ether	1	A1	3147	2996	0.952	75	657
		4	A1	1518	1452	0.957	75	658
		7	A1	427	418	0.978	75	659
		9	A2	1501	1464	0.975	75	660
		10	A2	1183	1150	0.972	75	661
		12	B1	3047	2925	0.960	75	662
		13	B1	1511	1464	0.969	75	663
		15	B1	264	242	0.916	75	664
		16	B2	3146	2996	0.952	75	665
		18	B2	1526	1464	0.959	75	666
		19	B2	1489	1452	0.975	75	667
		21	B2	1147	1102	0.961	75	668
CH2C(CH3)CH3	1-Propene, 2-methyl-	2	A1	3137	2941	0.938	76	669
		3	A1	3042	2911	0.957	76	670
		5	A1	1523	1470	0.965	76	671
		6	A1	1465	1416	0.967	76	672
		8	A1	1095	1064	0.972	76	673
		9	A1	826	801	0.970	76	674
		11	A2	3095	2970	0.960	76	675
		14	A2	705			76	676
		17	B1	1510	1444	0.956	76	677
		20	B1	421	429	1.019	76	678
		22	B2	3240	3086	0.952	76	679
		23	B2	3135	2980	0.951	76	680
		25	B2	1510	1458	0.965	76	681
		26	B2	1439	1381	0.959	76	682
		28	B2	994	1043	1.050	76	683
		29	B2	978	974	0.996	76	684
C2F4	Tetrafluoroethylene	1	Ag	1954	1872	0.958	77	685
		4	Au	204	190	0.931	77	686
		7	B2g	541	508	0.940	77	687
		10	B3g	1389	1340	0.965	77	688
		12	B3u	432	406	0.940	77	689
CH3CH2CHO	Propanal	1	A'	3144	2981	0.948	78	690
		4	A'	2931	2809	0.958	78	691
		7	A'	1484	1416	0.954	78	692
		9	A'	1432	1376	0.961	78	693
		10	A'	1393	1335	0.958	78	694
		12	A'	1017	993	0.977	78	695
		13	A'	872	848	0.972	78	696
		15	A'	264	271	1.028	78	697
		16	A"	3148	2992	0.951	78	698
		18	A"	1518	1451	0.956	78	699
		21	A"	914	892	0.975	78	700
		24	A"	139	135	0.974	78	701
C4H9N	Pyrrolidine	1	A'	3561	3356	0.942	79	702
		3	A'	3106	2927	0.942	79	703
		6	A'	1554	1484	0.955	79	704
		9	A'	1346	1273	0.946	79	705
		12	A'	1090	974	0.893	79	706
		14	A'	963	901	0.935	79	707
		15	A'	925	871	0.942	79	708
		17	A'	782	789	1.009	79	709
		18	A'	591	579	0.979	79	710
		20	A"	3119	2967	0.951	79	711
		21	A"	3101	2916	0.940	79	712
		23	A"	2966	2818	0.950	79	713
		26	A"	1459	1341	0.919	79	714
		29	A"	1265	1203	0.951	79	715
		32	A"	1119	1023	0.914	79	716
		34	A"	881	848	0.963	79	717
		35	A"	629	600	0.954	79	718
C4H8O2	1,4-Dioxane	2	Ag	3017	2856	0.947	80	719
		5	Ag	1357	1305	0.961	80	720
		8	Ag	868	837	0.965	80	721
		10	Ag	430	424	0.985	80	722
		11	Au	3120	2970	0.952	80	723
		13	Au	1506	1449	0.962	80	724
		14	Au	1427	1369	0.959	80	725
		16	Au	1197	1136	0.949	80	726
		17	Au	1122	1086	0.968	80	727
		19	Au	248	288	1.163	80	728
		22	Bg	1502	1459	0.971	80	729
		25	Bg	1182	1110	0.939	80	730
		28	Bu	3122	2970	0.951	80	731
		30	Bu	1516	1457	0.961	80	732
		31	Bu	1435	1378	0.960	80	733
		33	Bu	1083	1052	0.971	80	734
		34	Bu	925	889	0.961	80	735
		36	Bu	281	274	0.974	80	736
CO2	Carbon dioxide	2	Σu	2431	2349	0.966	81	737
		3	Πu	675	667	0.988	81	738
C2Cl4	Tetrachloroethylene	2	Ag	460	447	0.971	82	739
		3	Ag	251	237	0.944	82	740
		5	B1u	798	777	0.974	82	741
		8	B2u	942	908	0.963	82	742
		11	B3g	352	347	0.986	82	743
C5H8	Cyclopentene	2	A'	3125	2958	0.946	83	744
		3	A'	3095	2916	0.942	83	745
		5	A'	3038	2852	0.939	83	746
		6	A'	1685	1616	0.959	83	747
		8	A'	1505	1449	0.963	83	748
		9	A'	1359	1302	0.958	83	749
		11	A'	1134	1213	1.070	83	750
		14	A'	928	962	1.036	83	751
		17	A'	602	603	1.002	83	752
		20	A"	3093	2967	0.959	83	753
		22	A"	1514	1467	0.969	83	754
		23	A"	1399	1432	1.024	83	755
		25	A"	1323	1302	0.984	83	756
		26	A"	1244	1297	1.043	83	757
		28	A"	1060	1113	1.050	83	758
		29	A"	960	1082	1.128	83	759
		31	A"	906	800	0.883	83	760
C2H5N	Aziridine	2	A'	3238	3079	0.951	84	761
		3	A'	3147	3015	0.958	84	762
		5	A'	1318	1237	0.939	84	763
		8	A'	1028	998	0.971	84	764
		11	A"	3225	3079	0.955	84	765
		14	A"	1302	1268	0.974	84	766
		16	A"	1136	1095	0.964	84	767
		17	A"	937	904	0.964	84	768
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	2	A1	1676	1587	0.947	85	769
		5	A1	173	173	0.999	85	770
		8	B1	722	697	0.966	85	771
		10	B2	1351	1303	0.965	85	772
		11	B2	888	857	0.965	85	773
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	2	Ag	1672	1578	0.944	86	774
		5	Ag	357	350	0.981	86	775
		8	Bg	768	763	0.993	86	776
		10	Bu	1263	1200	0.950	86	777
		11	Bu	856	828	0.967	86	778
C4H6	Bicyclo[1.1.0]butane	2	A1	3194	3044	0.953	87	779
		3	A1	3094	2935	0.949	87	780
		5	A1	1313	1266	0.964	87	781
		6	A1	1125	1081	0.961	87	782
		8	A1	679	657	0.967	87	783
		9	A1	420	423	1.005	87	784
		11	A2	1109	1063	0.958	87	785
		14	B1	3270	3120	0.954	87	786
		17	B1	1017	980	0.964	87	787
		20	B2	3098	2969	0.958	87	788
		22	B2	1344	1261	0.938	87	789
		23	B2	1120	1081	0.964	87	790
C5H8	Spiropentane	3	A1	1110	1160	1.046	88	791
		6	A2	3223	3070	0.952	88	792
		9	B1	3223	3066	0.951	88	793
		11	B1	1041	888	0.853	88	794
		12	B1	298	300	1.008	88	795
		14	B2	1627	1521	0.935	88	796
		15	B2	1458	1415	0.971	88	797
		17	B2	923	872	0.945	88	798
		18	E	3236	3067	0.948	88	799
		19	E	3140	2985	0.951	88	800
		22	E	1098	1049	0.955	88	801
		25	E	305	308	1.009	88	802
C8H8	cubane	1	A1g	3161	2995	0.947	89	803
		3	A2u	3125	2978	0.953	89	804
		4	A2u	1026	839	0.818	89	805
		6	Eg	925	912	0.986	89	806
		7	Eu	1153	1151	0.998	89	807
C4H8	cyclobutane	1	A1	3118	2951	0.947	90	808
		3	A1	1549	1468	0.948	90	809
		4	A1	1200	1153	0.961	90	810
		6	A1	246	199	0.809	90	811
		7	A2	1266	1260	0.995	90	812
		9	B1	1282	1231	0.960	90	813
		10	B1	1181	1142	0.967	90	814
		12	B2	3146	2973	0.945	90	815
		15	B2	924	883	0.956	90	816
		19	E	1509	1441	0.955	90	817
		20	E	1316	1252	0.951	90	818
		22	E	933	893	0.957	90	819
		23	E	771	746	0.966	90	820
C3H6S	Thietane	1	A'	3161	2994	0.947	91	821
		2	A'	3130	2972	0.950	91	822
		4	A'	3076	2903	0.944	91	823
		5	A'	1536	1470	0.957	91	824
		7	A'	1307	1224	0.936	91	825
		8	A'	1227	1183	0.964	91	826
		10	A'	969	933	0.963	91	827
		13	A'	551	529	0.960	91	828
		16	A"	3093	2950	0.954	91	829
		19	A"	1287	1229	0.955	91	830
		22	A"	1007	986	0.979	91	831
		24	A"	705	677	0.961	91	832
C3H4N2	1H-Pyrazole	1	A'	3724	3523	0.946	92	833
		2	A'	3299	3155	0.956	92	834
		4	A'	3266	3126	0.957	92	835
		5	A'	1597	1531	0.959	92	836
		7	A'	1445	1395	0.965	92	837
		10	A'	1199	1159	0.967	92	838
		13	A'	1062	1009	0.950	92	839
		16	A"	886	879	0.992	92	840
		18	A"	759	745	0.981	92	841
		19	A"	688	674	0.979	92	842
		21	A"	477	516	1.082	92	843
C3H3NO	Isoxazole	3	A'	3270	3086	0.944	93	844
		6	A'	1416	1432	1.011	93	845
		8	A'	1176	1217	1.035	93	846
		9	A'	1131	1128	0.998	93	847
		11	A'	945	1021	1.080	93	848
		12	A'	922	856	0.928	93	849
		14	A"	899	1033	1.148	93	850
		15	A"	884	889	1.005	93	851
		17	A"	637	632	0.992	93	852
C3H4N2	1H-Imidazole	1	A'	3717	3517	0.946	94	853
		3	A'	3273	3123	0.954	94	854
		4	A'	3270	3110	0.951	94	855
		6	A'	1537	1404	0.914	94	856
		7	A'	1477	1328	0.899	94	857
		9	A'	1299	1188	0.915	94	858
		10	A'	1169	1098	0.939	94	859
		12	A'	1110	1013	0.912	94	860
		15	A'	911	898	0.986	94	861
		18	A"	730	674	0.923	94	862
		21	A"	474	539	1.138	94	863
C3H3NO	Oxazole	1	A'	3324	3170	0.954	95	864
		3	A'	3287	3141	0.956	95	865
		4	A'	1612	1537	0.954	95	866
		6	A'	1379	1324	0.960	95	867
		7	A'	1290	1252	0.970	95	868
		9	A'	1130	1086	0.961	95	869
		10	A'	1121	1078	0.962	95	870
		12	A'	933	899	0.963	95	871
		15	A"	860	830	0.965	95	872
		18	A"	617	607	0.984	95	873
C2H3N3	1H-1,2,4-Triazole	2	A'	3288	3140	0.955	96	874
		3	A'	3283	3110	0.947	96	875
		5	A'	1507	1495	0.992	96	876
		6	A'	1424	1473	1.035	96	877
		8	A'	1293	1280	0.990	96	878
		9	A'	1197	1190	0.994	96	879
		11	A'	1101	1070	0.972	96	880
		12	A'	998	965	0.967	96	881
		14	A"	913	990	1.085	96	882
		17	A"	681	660	0.969	96	883
CH2N4	1H-Tetrazole	2	A'	3316	3102	0.935	97	884
		3	A'	1546	1441	0.932	97	885
		5	A'	1349	1259	0.933	97	886
		8	A'	1090	1015	0.931	97	887
		11	A'	980	925	0.944	97	888
		14	A"	693	658	0.950	97	889
C4H4N2	Pyridazine	1	A1	3233	3063	0.948	98	890
		3	A1	1638	1572	0.960	98	891
		6	A1	1150	1160	1.009	98	892
		9	A1	678	619	0.912	98	893
		12	A2	702	751	1.070	98	894
		14	B1	967			98	895
		15	B1	767	760	0.991	98	896
		17	B2	3219	3075	0.955	98	897
		18	B2	3202	3043	0.950	98	898
		20	B2	1450	1444	0.996	98	899
		21	B2	1326	1239	0.934	98	900
		23	B2	1056	1009	0.955	98	901
C4H4N2	1,3-Diazine	1	A1	3234	3082	0.953	99	902
		4	A1	1640	1572	0.958	99	903
		6	A1	1168	1155	0.989	99	904
		7	A1	1086	1065	0.981	99	905
		9	A1	692	679	0.981	99	906
		10	A2	1002	960	0.958	99	907
		12	B1	1017	1033	1.015	99	908
		13	B1	974	980	1.006	99	909
		15	B1	732	719	0.982	99	910
		18	B2	1644	1569	0.954	99	911
		21	B2	1260	1224	0.971	99	912
		24	B2	632	621	0.982	99	913
C4H4N2	Pyrazine	1	Ag	3212	3055	0.951	100	914
		4	Ag	1043	1016	0.974	100	915
		6	Au	983	960	0.977	100	916
		7	Au	349	350	1.003	100	917
		9	B1u	3191	3012	0.944	100	918
		10	B1u	1530	1483	0.969	100	919
		12	B1u	1043	1018	0.976	100	920
		13	B2g	976	983	1.007	100	921
		15	B2u	3207	3069	0.957	100	922
		18	B2u	1094	1063	0.972	100	923
		21	B3g	1380	1346	0.975	100	924
		24	B3u	425	418	0.982	100	925
C3H3N3	1,3,5-Triazine	1	A1'	3211	3042	0.947	101	926
		2	A1'	1161	1132	0.975	101	927
		4	A2'	1414	1278	0.904	101	928
		5	A2'	1100	1068	0.971	101	929
		7	A2"	756	737	0.975	101	930
		8	E'	3208	3056	0.953	101	931
		9	E'	1634	1555	0.952	101	932
		12	E'	691	657	0.950	101	933
N2H4	Hydrazine	1	A	3601	3398	0.944	102	934
		2	A	3502	3329	0.950	102	935
		4	A	1371	1275	0.930	102	936
		7	A	428	377	0.880	102	937
		10	B	1689	1628	0.964	102	938
C2H5SC2H5	Diethyl sulfide	1	A1	3131	2967	0.948	103	939
		2	A1	3062	2874	0.939	103	940
		4	A1	1525	1450	0.951	103	941
		5	A1	1516	1427	0.941	103	942
		7	A1	1363	1270	0.931	103	943
		8	A1	1123	1047	0.933	103	944
		10	A1	726	657	0.906	103	945
		13	A2	3139	2967	0.945	103	946
		16	A2	1288			103	947
		19	A2	260			103	948
		22	B1	3104	2930	0.944	103	949
		24	B1	1294	1242	0.960	103	950
		25	B1	1093			103	951
		27	B1	257			103	952
		28	B1	54			103	953
		30	B2	3062	2874	0.939	103	954
		31	B2	3056	2853	0.933	103	955
		33	B2	1507	1427	0.947	103	956
		36	B2	1074	1017	0.947	103	957
		39	B2	345	345	1.001	103	958
CF2O	Carbonic difluoride	2	A1	989	965	0.975	104	959
		5	B2	1298	1249	0.962	104	960
CF3CN	Acetonitrile, trifluoro-	2	A1	1277	1227	0.961	105	961
		3	A1	826	802	0.971	105	962
		5	E	1282	1214	0.947	105	963
		8	E	195	196	1.005	105	964
C2H4S	Thiirane	2	A1	1536	1457	0.949	106	965
		5	A1	666	627	0.941	106	966
		11	B1	860	824	0.958	106	967
		14	B2	1131	1051	0.929	106	968
CH3CF3	Ethane, 1,1,1-trifluoro-	1	A1	3093	2974	0.961	107	969
		3	A1	1329	1278	0.962	107	970
		6	A2	242	225	0.932	107	971
		8	E	1506	1450	0.963	107	972
		11	E	551	540	0.980	107	973
		12	E	371	365	0.984	107	974
C4H2	Diacetylene	2	Σg	2286	2184	0.955	108	975
		4	Σu	3487	3329	0.955	108	976
		5	Σu	2082	2020	0.970	108	977
		7	Πg	201	482	2.395	108	978
		8	Πu	650	630	0.969	108	979
C2N2	Cyanogen	1	Σg	2440	2330	0.955	109	980
		3	Σu	2225	2158	0.970	109	981
		4	Πg	538	503	0.935	109	982
		5	Πu	248	234	0.944	109	983
CH2CCH2	allene	1	A1	3157	3015	0.955	110	984
		4	B1	881	865	0.981	110	985
		7	B2	1451	1398	0.964	110	986
		9	E	1028	999	0.972	110	987
		10	E	867	841	0.970	110	988
CH2CO	Ketene	1	A1	3219	3070	0.954	111	989
		2	A1	2222	2152	0.968	111	990
		4	A1	1165	1118	0.960	111	991
		5	B1	598	588	0.983	111	992
		7	B2	3326	3166	0.952	111	993
		8	B2	1005	977	0.972	111	994
OCS	Carbonyl sulfide	1	Σ	2121	2062	0.972	112	995
		3	Π	519	520	1.002	112	996
C5H12	Propane, 2,2-dimethyl-	3	A1	748	733	0.979	113	997
		7	E	1105	999	0.904	113	998
		8	E	334	335	1.002	113	999
		15	T2	1539	1475	0.959	113	1000
		16	T2	1427	1372	0.961	113	1001
		17	T2	1312	1256	0.958	113	1002
		18	T2	958	925	0.965	113	1003
		19	T2	418	418	1.000	113	1004
C6H6	Fulvene	1	A1	3257	3088	0.948	114	1005
		2	A1	3232	3051	0.944	114	1006
		4	A1	1726	1632	0.945	114	1007
		5	A1	1566	1486	0.949	114	1008
		7	A1	1383	1342	0.970	114	1009
		8	A1	1111	1082	0.974	114	1010
		10	A1	911	894	0.982	114	1011
		11	A1	675	641	0.950	114	1012
		13	A2	773			114	1013
		16	B1	916	926	1.011	114	1014
		19	B1	596	613	1.028	114	1015
		22	B2	3250	3104	0.955	114	1016
		24	B2	1636	1550	0.948	114	1017
		25	B2	1364	1314	0.963	114	1018
		27	B2	1113	1077	0.968	114	1019
		28	B2	970	952	0.982	114	1020
		30	B2	339	350	1.031	114	1021
CH3CCCH3	2-Butyne	1	A1'	3059	2916	0.953	115	1022
		2	A1'	2357	2240	0.950	115	1023
		4	A1'	723	725	1.002	115	1024
		7	A2"	1440	1382	0.959	115	1025
		8	A2"	1180	1152	0.976	115	1026
		11	E'	1085	1054	0.971	115	1027
		14	E"	1511	1448	0.958	115	1028
		15	E"	1059	1029	0.972	115	1029
ClCN	chlorocyanogen	1	Σ	2295	2216	0.965	116	1030
		2	Σ	746	744	0.998	116	1031
C5H10	2-Butene, 2-methyl-	2	A'	3151	2972	0.943	117	1032
		3	A'	3139	2972	0.947	117	1033
		5	A'	3047	2931	0.962	117	1034
		6	A'	3042	2908	0.956	117	1035
		8	A'	1766	1681	0.952	117	1036
		11	A'	1509	1453	0.963	117	1037
		25	A"	3098	2972	0.959	117	1038
		26	A"	3094	2972	0.961	117	1039
		28	A"	1513	1471	0.972	117	1040
		29	A"	1504	1471	0.978	117	1041
C5H6	1,3-Cyclopentadiene	3	A1	3052	2886	0.946	118	1042
		6	A1	1416	1365	0.964	118	1043
		8	A1	1018	994	0.977	118	1044
		9	A1	938	915	0.976	118	1045
		11	A2	1143	1100	0.962	118	1046
		12	A2	918	941	1.025	118	1047
		14	A2	505	516	1.022	118	1048
		15	B1	3088	2900	0.939	118	1049
		17	B1	935	891	0.953	118	1050
		20	B2	3242	3105	0.958	118	1051
		23	B2	1337	1292	0.967	118	1052
		26	B2	986	959	0.973	118	1053
CH3COF	Acetyl fluoride	1	A'	3197	3043	0.952	119	1054
		4	A'	1493	1440	0.964	119	1055
		7	A'	1030	1000	0.970	119	1056
		10	A'	417	420	1.007	119	1057
		13	A"	1086	1054	0.970	119	1058
		15	A"	144	123	0.852	119	1059
CH2CHCHClCH3	1-Butene, 3-chloro-	3	A	3158	3011	0.953	120	1060
		5	A	3138	2974	0.948	120	1061
		6	A	3123	2967	0.950	120	1062
		8	A	1717	1645	0.958	120	1063
		9	A	1514	1452	0.959	120	1064
		11	A	1475	1424	0.966	120	1065
		12	A	1440	1375	0.955	120	1066
		14	A	1328	1283	0.966	120	1067
		15	A	1304	1233	0.945	120	1068
		17	A	1136	1090	0.960	120	1069
		20	A	992	966	0.974	120	1070
		23	A	739	708	0.957	120	1071
		26	A	326	319	0.978	120	1072
		28	A	292	283	0.970	120	1073
		29	A	267	245	0.916	120	1074
CH3CHCHCH3	2-Butene, (Z)-	3	A1	3050	2878	0.944	121	1075
		6	A1	1444	1397	0.967	121	1076
		8	A1	1036	986	0.952	121	1077
		9	A1	879	880	1.001	121	1078
		11	A2	3102	2988	0.963	121	1079
		12	A2	1503	1464	0.974	121	1080
		14	A2	990	880	0.889	121	1081
		15	A2	378	396	1.049	121	1082
		17	B1	3102	2965	0.956	121	1083
		20	B1	698	673	0.964	121	1084
		23	B2	3136	2965	0.945	121	1085
		26	B2	1460	1420	0.973	121	1086
		28	B2	1169	1135	0.971	121	1087
		29	B2	995	986	0.991	121	1088
CH2CCHCH3	1,2-Butadiene	1	A'	3163	3061	0.968	122	1089
		3	A'	3142	2965	0.944	122	1090
		4	A'	3049	2905	0.953	122	1091
		6	A'	1526	1453	0.952	122	1092
		9	A'	1378	1330	0.965	122	1093
		12	A'	888	876	0.987	122	1094
		15	A'	207	210	1.016	122	1095
		17	A"	3111	2965	0.953	122	1096
		18	A"	1505	1453	0.966	122	1097
		20	A"	1031	1011	0.981	122	1098
		21	A"	893	842	0.942	122	1099
		23	A"	328	322	0.981	122	1100
C6H10	1,5-Hexadiene	2	Ag	3170	3005	0.948	123	1101
		5	Ag	1720	1642	0.955	123	1102
		8	Ag	1452	1334	0.919	123	1103
		10	Ag	1164	1187	1.020	123	1104
		11	Ag	1015	1025	1.010	123	1105
		13	Ag	578	402	0.696	123	1106
		14	Ag	272	351	1.288	123	1107
		16	Au	1219	1212	0.994	123	1108
		17	Au	1028	995	0.968	123	1109
		19	Au	802	774	0.965	123	1110
		28	Bg	561	614	1.094	123	1111
		30	Bu	3250	3080	0.948	123	1112
		31	Bu	3170	2995	0.945	123	1113
		33	Bu	3041	2835	0.932	123	1114
		34	Bu	1712	1642	0.959	123	1115
		36	Bu	1467	1419	0.967	123	1116
CH3F	Methyl fluoride	1	A1	3059	2930	0.958	124	1117
		2	A1	1533	1464	0.955	124	1118
		4	E	3145	3006	0.956	124	1119
CH3PH2	Methyl phosphine	2	A'	3067	2938	0.958	125	1120
		5	A'	1375	1238	0.900	125	1121
		7	A'	1028	977	0.951	125	1122
		8	A'	761	740	0.972	125	1123
		10	A"	3146	2992	0.951	125	1124
		11	A"	2450	2312	0.944	125	1125
		13	A"	1062	1017	0.957	125	1126
C5H8	1,2-Butadiene, 3-methyl-	1	A1	3147	2987	0.949	126	1127
		3	A1	3042	2916	0.959	126	1128
		4	A1	2063	1996	0.967	126	1129
		6	A1	1495	1438	0.962	126	1130
		7	A1	1440	1369	0.951	126	1131
		9	A1	1037	973	0.939	126	1132
		10	A1	741	726	0.979	126	1133
		12	A2	3098	2941	0.949	126	1134
		15	A2	617	617	0.999	126	1135
		18	B1	3099	2941	0.949	126	1136
		21	B1	1034	1004	0.971	126	1137
		26	B2	3039	2916	0.960	126	1138
		27	B2	1511	1470	0.973	126	1139
		29	B2	1247	1191	0.955	126	1140
		30	B2	985	968	0.983	126	1141
		32	B2	594	554	0.932	126	1142
		33	B2	181	187	1.031	126	1143
CH3NO3	Methyl nitrate	1	A'	3197	3008	0.941	127	1144
		4	A'	1531	1468	0.959	127	1145
		7	A'	1222	1176	0.962	127	1146
		10	A'	696	657	0.944	127	1147
		13	A"	3175	3008	0.947	127	1148
		15	A"	1200	1136	0.947	127	1149
		16	A"	787	758	0.963	127	1150
		18	A"	131			127	1151
C5H6S	Thiophene, 3-methyl-	2	A'	3257	3104	0.953	128	1152
		5	A'	3050	2923	0.958	128	1153
		7	A'	1523	1447	0.950	128	1154
		8	A'	1488	1407	0.945	128	1155
		10	A'	1427	1373	0.962	128	1156
		11	A'	1274	1234	0.968	128	1157
		13	A'	1118	1080	0.966	128	1158
		14	A'	1026	993	0.968	128	1159
		16	A'	883	857	0.971	128	1160
		17	A'	851	830	0.975	128	1161
		19	A'	549	542	0.987	128	1162
		22	A"	1504	1452	0.965	128	1163
		25	A"	752	762	1.014	128	1164
		28	A"	442	464	1.049	128	1165
		30	A"	111			128	1166
CH3CHCHCH3	2-Butene, (E)-	3	Ag	3042	2874	0.945	129	1167
		5	Ag	1516	1457	0.961	129	1168
		6	Ag	1440	1385	0.962	129	1169
		8	Ag	1183	1146	0.968	129	1170
		9	Ag	886	866	0.977	129	1171
		11	Au	3101	2960	0.955	129	1172
		12	Au	1501	1449	0.965	129	1173
		14	Au	996	964	0.968	129	1174
		17	Bg	3101	2954	0.952	129	1175
		20	Bg	743	750	1.009	129	1176
		23	Bu	3123	2960	0.948	129	1177
		25	Bu	1521	1449	0.953	129	1178
		26	Bu	1439	1393	0.968	129	1179
		28	Bu	1098	1072	0.976	129	1180
		29	Bu	998	987	0.989	129	1181
CH3SCH2CH3	Ethane, (methylthio)-	2	A'	3132	2957	0.944	130	1182
		3	A'	3061	2920	0.954	130	1183
		5	A'	3057	2830	0.926	130	1184
		8	A'	1503	1427	0.950	130	1185
		11	A'	1347	1262	0.937	130	1186
		14	A'	990	968	0.978	130	1187
		16	A'	710	654	0.921	130	1188
		17	A'	356	353	0.993	130	1189
		19	A"	3140	2991	0.953	130	1190
		20	A"	3137	2957	0.943	130	1191
		22	A"	1511	1449	0.959	130	1192
		23	A"	1478	1435	0.971	130	1193
		25	A"	1084			130	1194
		28	A"	258			130	1195
CH3ONO	Methyl nitrite	3	A'	1715	1613	0.941	131	1196
		6	A'	1217	1239	1.017	131	1197
		8	A'	886	838	0.945	131	1198
		9	A'	713	627	0.880	131	1199
		11	A"	3153	2991	0.949	131	1200
		12	A"	1503	1438	0.957	131	1201
		14	A"	350			131	1202
		15	A"	225	186	0.826	131	1203
CH3SSCH3	Disulfide, dimethyl	1	A	3167	2990	0.944	132	1204
		3	A	3070	2913	0.949	132	1205
		4	A	1487	1426	0.959	132	1206
		6	A	1411	1311	0.929	132	1207
		7	A	1016	955	0.940	132	1208
		9	A	737	694	0.941	132	1209
		10	A	501	509	1.015	132	1210
		12	A	178	134	0.754	132	1211
		15	B	3154	2983	0.946	132	1212
		18	B	1470	1415	0.962	132	1213
		21	B	1008	949	0.942	132	1214
		23	B	274	274	0.998	132	1215
		24	B	191	134	0.701	132	1216
CO	Carbon monoxide	1	Σ	2190	2170	0.991	133	1217
		1	Σ	2190	1743	0.796	133	1218
C3H7N	Cyclopropylamine	3	A'	3165	3032	0.958	134	1219
		6	A'	1541	1456	0.945	134	1220
		8	A'	1263	1214	0.961	134	1221
		9	A'	1201	1168	0.972	134	1222
		11	A'	1037	1020	0.984	134	1223
		12	A'	902	989	1.096	134	1224
		14	A'	790	762	0.964	134	1225
		15	A'	412	408	0.989	134	1226
		17	A"	3247	3100	0.955	134	1227
		20	A"	1299	1104	0.850	134	1228
		23	A"	1100	940	0.855	134	1229
		26	A"	402	396	0.984	134	1230
C6H8	1,3,5-Hexatriene, (E)-	1	Ag	3251	3085	0.949	135	1231
		2	Ag	3170	3054	0.963	135	1232
		4	Ag	3155	2989	0.947	135	1233
		5	Ag	1737	1627	0.937	135	1234
		7	Ag	1448	1400	0.967	135	1235
		10	Ag	1224	1192	0.974	135	1236
		13	Ag	349	355	1.018	135	1237
		16	Au	902	901	0.998	135	1238
		19	Au	89	90	1.013	135	1239
		21	Bg	902	928	1.028	135	1240
		22	Bg	857	872	1.018	135	1241
		24	Bg	186	217	1.166	135	1242
		25	Bu	3251	3099	0.953	135	1243
		27	Bu	3161	3019	0.955	135	1244
		28	Bu	3154	2953	0.936	135	1245
		30	Bu	1479	1432	0.968	135	1246
		33	Bu	1155	1186	1.027	135	1247
		36	Bu	146	170	1.166	135	1248
C4H6	Cyclobutene	3	A1	1631	1570	0.962	136	1249
		6	A1	1146	1186	1.035	136	1250
		9	A2	3107	2955	0.951	136	1251
		11	A2	1043	1081	1.037	136	1252
		12	A2	909	850	0.935	136	1253
		14	B1	3122	2955	0.946	136	1254
		15	B1	1113	1074	0.965	136	1255
		17	B1	657	635	0.967	136	1256
		18	B2	3196	3047	0.953	136	1257
		20	B2	1495	1427	0.955	136	1258
		21	B2	1335	1294	0.969	136	1259
		23	B2	913	888	0.973	136	1260
H2CS	Thioformaldehyde	1	A1	3104	2971	0.957	137	1261
		3	A1	1088	1059	0.974	137	1262
		4	B1	1030	990	0.962	137	1263
		6	B2	1040	991	0.953	137	1264
C4N2	2-Butynedinitrile	1	Σg	2434	2290	0.941	138	1265
		3	Σg	598	692	1.156	138	1266
		4	Σu	2338	2241	0.959	138	1267
		6	Πg	566	504	0.891	138	1268
		9	Πu	115	107	0.927	138	1269
BeO	beryllium oxide	1	Σ	1372	1457	1.062	139	1270
LiOH	lithium hydroxide	1	Σ	4064	3688	0.907	140	1271
		3	Π	379	257	0.677	140	1272
NaOH	sodium hydroxide	2	Σ	602	540	0.897	141	1273
H2	Hydrogen diatomic	1	Σg	4423	4401	0.995	142	1274
CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	1	A	3155	2971	0.942	143	1275
		3	A	3138	2971	0.947	143	1276
		4	A	3135	2971	0.948	143	1277
		6	A	3117	2971	0.953	143	1278
		9	A	3051	2867	0.940	143	1279
		12	A	1521	1448	0.952	143	1280
		15	A	1502	1448	0.964	143	1281
		17	A	1447	1386	0.958	143	1282
		18	A	1431	1364	0.953	143	1283
		20	A	1367	1315	0.962	143	1284
		21	A	1324	1244	0.939	143	1285
		23	A	1162	1110	0.955	143	1286
		24	A	1105	1058	0.958	143	1287
		26	A	993	954	0.961	143	1288
		29	A	921	882	0.957	143	1289
		32	A	431	427	0.992	143	1290
		35	A	267			143	1291
		37	A	215	215	1.001	143	1292
		38	A	158			143	1293
C5H8	1,3-Pentadiene, (Z)-	2	A'	3193	3060	0.958	144	1294
		5	A'	3156	2998	0.950	144	1295
		8	A'	1744	1656	0.950	144	1296
		10	A'	1517	1445	0.952	144	1297
		11	A'	1486	1435	0.966	144	1298
		13	A'	1402	1357	0.968	144	1299
		14	A'	1329	1300	0.978	144	1300
		16	A'	1198	1169	0.976	144	1301
		17	A'	1071	1025	0.957	144	1302
		19	A'	899	840	0.935	144	1303
		22	A'	223	144	0.646	144	1304
		25	A"	1071	1009	0.942	144	1305
		28	A"	905	906	1.001	144	1306
		30	A"	625	627	1.002	144	1307
		31	A"	344	456	1.324	144	1308
Si2H6	disilane	2	A1g	970	909	0.937	145	1309
		5	A2u	2269	2154	0.949	145	1310
		9	Eg	660	625	0.948	145	1311
		10	Eu	2285	2179	0.953	145	1312
		12	Eu	398	379	0.954	145	1313
CCl2	dichloromethylene	1	A1	745	730	0.980	146	1314
C5H10S	2H-Thiopyran, tetrahydro-	1	A'	3123	2948	0.944	147	1315
		2	A'	3099	2929	0.945	147	1316
		4	A'	3058	2904	0.950	147	1317
		7	A'	1518	1451	0.956	147	1318
		10	A'	1414	1348	0.953	147	1319
		13	A'	1270	1215	0.957	147	1320
		15	A'	1052	965	0.918	147	1321
		16	A'	999	897	0.898	147	1322
		18	A'	838	813	0.970	147	1323
		19	A'	684	656	0.959	147	1324
		21	A'	367	359	0.979	147	1325
		22	A'	347	344	0.990	147	1326
		24	A"	3123	2948	0.944	147	1327
		27	A"	3045	2878	0.945	147	1328
		30	A"	1421	1338	0.942	147	1329
		33	A"	1311	1259	0.961	147	1330
		35	A"	1129	1090	0.965	147	1331
		36	A"	1117	1013	0.907	147	1332
		38	A"	927	905	0.977	147	1333
		39	A"	813	791	0.973	147	1334
		41	A"	391	398	1.017	147	1335
		42	A"	241	242	1.004	147	1336
C3H5	Allyl radical	1	A1	3267	3114	0.953	148	1337
		4	A1	1535	1488	0.969	148	1338
		6	A1	1039	1066	1.026	148	1339
		7	A1	427	427	1.000	148	1340
		9	A2	550	549	0.999	148	1341
		12	B1	523	518	0.990	148	1342
		15	B2	1519	1463	0.963	148	1343
C5H8	1,3-Pentadiene, (E)-	1	A'	3249	3090	0.951	149	1344
		2	A'	3168	3015	0.952	149	1345
		4	A'	3153	3015	0.956	149	1346
		7	A'	3042	2919	0.959	149	1347
		10	A'	1517	1433	0.945	149	1348
		13	A'	1341	1316	0.982	149	1349
		15	A'	1304	1280	0.981	149	1350
		16	A'	1215	1166	0.960	149	1351
		18	A'	996	985	0.989	149	1352
		19	A'	915	862	0.942	149	1353
		21	A'	453	418	0.924	149	1354
		22	A'	196	212	1.081	149	1355
		24	A"	1500	1453	0.968	149	1356
		25	A"	1074	1017	0.947	149	1357
		27	A"	974	912	0.936	149	1358
		30	A"	630	615	0.976	149	1359
CH2NH	Methanimine	2	A'	3164	3024	0.956	150	1360
		3	A'	3064	2914	0.951	150	1361
		5	A'	1508	1452	0.963	150	1362
		6	A'	1409	1344	0.954	150	1363
		8	A"	1179	1127	0.956	150	1364
CN	Cyano radical	1	Σ	2155	2069	0.960	151	1365
CF2	Difluoromethylene	3	B2	1172	1114	0.951	152	1366
		3	B2	1351	1114	0.825	152	1367
CF3	Trifluoromethyl radical	1	A1	1119	1089	0.973	153	1368
C4H9N	Cyclobutylamine	2	A'	3160	2975	0.941	154	1369
		5	A'	3075	2905	0.945	154	1370
		8	A'	1532	1467	0.957	154	1371
		11	A'	1319	1291	0.979	154	1372
		13	A'	1187	1137	0.958	154	1373
		14	A'	1110	1120	1.009	154	1374
		16	A'	924	965	1.044	154	1375
		17	A'	904	788	0.872	154	1376
		19	A'	680	606	0.892	154	1377
		20	A'	413	448	1.085	154	1378
		22	A"	3590	3411	0.950	154	1379
		25	A"	1498	1452	0.970	154	1380
		28	A"	1278	1168	0.914	154	1381
		31	A"	1050	925	0.881	154	1382
		34	A"	791	788	0.997	154	1383
		36	A"	297	240	0.809	154	1384
SF6	Sulfur Hexafluoride	1	A1g	739	774	1.046	155	1385
HCO	Formyl radical	2	A'	1905	1868	0.980	156	1386
ClNO	Nitrosyl chloride	2	A'	609	596	0.978	157	1387
		3	A'	327	332	1.015	157	1388
C3H4	cyclopropene	2	A1	3079	2909	0.945	158	1389
		5	A1	1183	1110	0.938	158	1390
		8	A2	840	820	0.976	158	1391
		11	B1	596	569	0.954	158	1392
		13	B2	1098	1043	0.950	158	1393
		14	B2	1056	1011	0.958	158	1394
C3H3	Propargyl radical	1	A1	3483	3322	0.954	159	1395
		7	B1	472	490	1.037	159	1396
HO2	Hydroperoxy radical	1	A'	3734	3436	0.920	160	1397
		3	A'	1125	1098	0.975	160	1398
CH	Methylidyne	1	Σ	2845	2861	1.006	161	1399
		1	Σ	3146	2861	0.909	161	1400
		1	Σ	2845	3145	1.106	161	1401
		1	Σ	3146	3145	1.000	161	1402
		1	Σ	2845	2931	1.030	161	1403
		1	Σ	3146	2931	0.931	161	1404
OH	Hydroxyl radical	1	Σ	3787	3738	0.987	162	1405
NF2	Difluoroamino radical	2	A1	592	573	0.968	163	1406
CCl	carbon monochloride	1	Σ	868	877	1.011	164	1407
SiH2Cl2	dichlorosilane	2	A1	988	954	0.965	165	1408
		5	A2	756	710	0.939	165	1409
		8	B2	930	876	0.942	165	1410
CHOCHCHCH3	2-Butenal	2	A'	3153	2995	0.950	166	1411
		3	A'	3137	2963	0.945	166	1412
		5	A'	2929	2805	0.958	166	1413
		6	A'	1801	1720	0.955	166	1414
		8	A'	1511	1455	0.963	166	1415
		11	A'	1335	1304	0.977	166	1416
		14	A'	1103	1074	0.974	166	1417
		17	A'	460	464	1.010	166	1418
		19	A"	3112	2980	0.958	166	1419
		20	A"	1501	1455	0.969	166	1420
		22	A"	1030	973	0.944	166	1421
		23	A"	1001	928	0.927	166	1422
		25	A"	283	295	1.042	166	1423
		26	A"	193	173	0.896	166	1424
C4H5N	Cyclopropanecarbonitrile	1	A'	3271	3120	0.954	167	1425
		3	A'	3174	3044	0.959	167	1426
		4	A'	2332	2264	0.971	167	1427
		6	A'	1408	1344	0.955	167	1428
		7	A'	1238	1195	0.965	167	1429
		9	A'	1106	1049	0.948	167	1430
		12	A'	767	736	0.960	167	1431
		15	A"	3258	3094	0.950	167	1432
		18	A"	1224	1180	0.964	167	1433
		20	A"	1118	1088	0.974	167	1434
		21	A"	941	880	0.935	167	1435
		23	A"	550	543	0.988	167	1436
		24	A"	218	222	1.017	167	1437
C4H6	Methylenecyclopropane	2	A1	3141	3002	0.956	168	1438
		5	A1	1465	1410	0.963	168	1439
		8	A1	751	723	0.963	168	1440
		11	A2	968	937	0.968	168	1441
		13	B1	3230	3071	0.951	168	1442
		14	B1	1117	1072	0.959	168	1443
		16	B1	772	748	0.969	168	1444
		17	B1	281	360	1.282	168	1445
		19	B2	3137	2999	0.956	168	1446
		20	B2	1477	1353	0.916	168	1447
		22	B2	1097	1125	1.026	168	1448
C5H12S	Propane, 2-methyl-2-(methylthio)-	1	A'	3154	2967	0.941	169	1449
		2	A'	3138	2967	0.945	169	1450
		4	A'	3116	2967	0.952	169	1451
		7	A'	3044	2875	0.945	169	1452
		10	A'	1509	1445	0.957	169	1453
		13	A'	1428	1364	0.955	169	1454
		15	A'	1278	1210	0.947	169	1455
		16	A'	1234	1161	0.941	169	1456
		18	A'	995			169	1457
		19	A'	967	932	0.964	169	1458
		21	A'	754	722	0.958	169	1459
		22	A'	609	588	0.966	169	1460
		24	A'	373	367	0.983	169	1461
		27	A'	231	226	0.977	169	1462
		30	A"	3130	2967	0.948	169	1463
		33	A"	1526	1460	0.957	169	1464
		35	A"	1498	1445	0.964	169	1465
		36	A"	1481	1435	0.969	169	1466
		38	A"	1273	1181	0.927	169	1467
		39	A"	1061	1026	0.967	169	1468
		41	A"	981	952	0.971	169	1469
		42	A"	959	932	0.971	169	1470
		44	A"	315	305	0.969	169	1471
		45	A"	282			169	1472
		47	A"	173			169	1473
HCP	HCP	1	Σ	3368	3217	0.955	170	1474
		3	Π	691	674	0.975	170	1475
HNC	hydrogen isocyanide	1	Σ	3859	3653	0.947	171	1476
		2	Σ	2074	2029	0.978	171	1477
SO2	Sulfur dioxide	2	A1	522	518	0.992	172	1478
		3	B2	1362	1362	1.000	172	1479
SO3	Sulfur trioxide	2	A2"	484	498	1.029	173	1480
		4	E'	516	530	1.028	173	1481
AlCl3	Aluminum trichloride	1	A1'	397	375	0.945	174	1482
		2	A2"	206	183	0.888	174	1483
		4	E'	148	150	1.015	174	1484
LiCl	lithium chloride	1	Σ	654	643	0.983	175	1485
C2Cl2	dichloroacetylene	3	Σu	1009	988	0.979	176	1486
		5	Πu	174	172	0.989	176	1487
LiH	Lithium Hydride	1	Σ	1409	1405	0.997	177	1488
ClFO3	Perchloryl fluoride	1	A1	988	1061	1.073	178	1489
		3	A1	509	549	1.078	178	1490
		5	E	554	589	1.063	178	1491
SiO2	silicon dioxide	3	Πu	300	273	0.910	179	1492
BF3	Borane, trifluoro-	2	A2"	710	691	0.973	180	1493
		4	E'	487	480	0.986	180	1494
HCl	Hydrogen chloride	1	Σ	3043	2991	0.983	181	1495
NaCl	Sodium Chloride	1	Σ	364	365	1.001	182	1496
PF5	Phosphorus pentafluoride	1	A1'	805	816	1.014	183	1497
		3	A2"	994	947	0.952	183	1498
		4	A2"	571	575	1.006	183	1499
		7	E'	173	174	1.006	183	1500
NH3	Ammonia	3	E	3628	3444	0.949	184	1501
H2SO4	Sulfuric acid	3	A	1169	1136	0.972	185	1502
		5	A	541	548	1.014	185	1503
		6	A	438	422	0.964	185	1504
		8	A	270	224	0.831	185	1505
		9	B	3865	3567	0.923	185	1506
		11	B	1182	1157	0.979	185	1507
		12	B	894	882	0.986	185	1508
		14	B	495	506	1.021	185	1509
		15	B	323	288	0.889	185	1510
MgH2	magnesium dihydride	2	Σu	1635	1572	0.961	186	1511
		3	Πu	435	440	1.010	186	1512
HNO3	Nitric acid	1	A'	3828	3550	0.927	187	1513
		4	A'	1371	1325	0.966	187	1514
		7	A'	607	579	0.954	187	1515
PCl3	Phosphorus trichloride	3	E	495	482	0.974	188	1516
		4	E	195	198	1.013	188	1517
H2O2	Hydrogen peroxide	2	A	1489	1402	0.942	189	1518
		5	B	3874	3608	0.931	189	1519
H2O	Water	1	A1	3900	3657	0.938	190	1520
Cl2	Chlorine diatomic	1	Σg	522	560	1.072	191	1521
HNO2	Nitrous acid	2	A'	1792	1700	0.949	192	1522
		5	A'	663	596	0.899	192	1523
H2S	Hydrogen sulfide	1	A1	2764	2615	0.946	193	1524
		2	A1	1231	1183	0.961	193	1525
F2O	Difluorine monoxide	2	A1	484	461	0.953	194	1526
		3	B2	883	831	0.941	194	1527
NF3	Nitrogen trifluoride	2	A1	676	647	0.957	195	1528
		3	E	995	907	0.912	195	1529
		4	E	515	492	0.955	195	1530
PF3	Phosphorus trifluoride	3	E	867	860	0.992	196	1531
		4	E	347	344	0.993	196	1532
AlH3	aluminum trihydride	1	A1'	1981	1900	0.959	197	1533
		3	E'	1990	1883	0.946	197	1534
BeH2	beryllium dihydride	2	Σu	2260	2159	0.955	198	1535
HSO3F	Fluorosulfonic acid	1	A	3861	3602	0.933	199	1536
		4	A	1177	1150	0.977	199	1537
		6	A	813	823	1.012	199	1538
		7	A	543	562	1.035	199	1539
		9	A	513	518	1.010	199	1540
		10	A	417	409	0.980	199	1541
		12	A	292	266	0.910	199	1542
LiF	lithium fluoride	1	Σ	960	911	0.949	200	1543
FNO	Nitrosyl fluoride	2	A'	828	766	0.925	201	1544
FNO3	Fluorine nitrate	1	A'	1848	1759	0.952	202	1545
		3	A'	986	928	0.941	202	1546
		4	A'	863	804	0.932	202	1547
		6	A'	516	455	0.882	202	1548
		9	A"	146	152	1.041	202	1549
ClF	Chlorine monofluoride	1	Σ	721	783	1.087	203	1550
ClF3	Chlorine trifluoride	1	A1	704	752	1.068	204	1551
		3	A1	314	328	1.044	204	1552
		4	B1	313	328	1.047	204	1553
		6	B2	410	442	1.078	204	1554
HOCl	hypochlorous acid	2	A'	1242	1239	0.998	205	1555
Cl2O	Dichlorine monoxide	2	A1	296	296	0.999	206	1556
		3	B2	682	686	1.005	206	1557
SO2Cl2	Sulfuryl chloride	1	A1	1184	1205	1.018	207	1558
		3	A1	391	408	1.043	207	1559
		4	A1	210	218	1.037	207	1560
		6	B1	594	586	0.987	207	1561
		7	B1	377	388	1.030	207	1562
		9	B2	360	362	1.006	207	1563
NH2OH	hydroxylamine	3	A'	1688	1605	0.951	208	1564
		6	A'	988	895	0.906	208	1565
		8	A"	1354	1295	0.956	208	1566
		9	A"	427	386	0.904	208	1567
PH3	Phosphine	3	E	2465	2328	0.945	209	1568
		4	E	1161	1118	0.963	209	1569
SiH4	Silane	1	A1	2301	2187	0.950	210	1570
		3	T2	2306	2191	0.950	210	1571
		4	T2	960	914	0.952	210	1572
N2O	Nitrous oxide	1	Σ	2349	2224	0.947	211	1573
		2	Σ	1310	1285	0.981	211	1574
S2Cl2	Disulfur dichloride	1	A	504	546	1.084	212	1575
		3	A	202	202	1.002	212	1576
		4	A	93	95	1.026	212	1577
		6	B	242	244	1.009	212	1578
SiHCl3	Trichlorosilane	3	A1	263	254	0.965	213	1579
		5	E	613	600	0.978	213	1580
		6	E	187	176	0.940	213	1581
Cl3PO	Phosphoryl chloride	2	A1	478	481	1.007	214	1582
		3	A1	279	266	0.954	214	1583
		6	E	198	187	0.943	214	1584
SiCl4	Silane, tetrachloro-	2	E	159	150	0.944	215	1585
		4	T2	234	221	0.945	215	1586
PCl5	Phosphorus pentachloride	1	A1'	383	395	1.031	216	1587
		3	A2"	452	465	1.030	216	1588
		7	E'	94	100	1.067	216	1589
OClO	Chlorine dioxide	1	A1	856	946	1.104	217	1590
BCl3	Borane, trichloro-	2	A2"	467	460	0.986	218	1591
		4	E'	268	243	0.907	218	1592
BHCl2	Borane, dichloro-	2	A1	757	740	0.977	219	1593
		4	B1	808	784	0.971	219	1594
		5	B2	1141	1089	0.955	219	1595
C2	Carbon diatomic	1	Σg	1835	1855	1.011	220	1596
		1	Σg	1642	1855	1.130	220	1597
P2	Phosphorus diatomic	1	Σg	790	781	0.988	221	1598
P4	Phosphorus tetramer	1	A1	618	601	0.972	222	1599
		2	E	363	361	0.994	222	1600
		3	T2	463	467	1.007	222	1601
AlS	Aluminum sulfide	1	Σ	604	617	1.021	223	1602
CP	Carbon monophosphide	1	Σ	1275	1240	0.972	224	1603
NaO	sodium monoxide	1	Σ	501	492	0.983	225	1604
SiS	silicon monosulfide	1	Σ	745	750	1.006	226	1605
BH3	boron trihydride	2	A2"	1167	1148	0.983	227	1606
		3	E'	2695	2602	0.965	227	1607
		4	E'	1225	1197	0.977	227	1608
ClNO2	Nitryl chloride	2	A1	831	793	0.954	228	1609
		3	A1	395	364	0.922	228	1610
		5	B2	1778	1684	0.947	228	1611
		6	B2	429	408	0.951	228	1612
HCF	Fluoromethylene	1	A'	2807	2643	0.942	229	1613
		2	A'	1471	1403	0.954	229	1614
H2S2	HSSH	2	A	914	882	0.965	230	1615
		5	B	2738	2559	0.934	230	1616
SiH3Cl	chlorosilane	3	A1	554	551	0.995	231	1617
		5	E	988	954	0.966	231	1618
F3PO	Phosphoryl fluoride	2	A1	866	873	1.008	232	1619
		3	A1	479	472	0.985	232	1620
		6	E	332	336	1.013	232	1621
AlFCl2	Aluminum dichloride fluoride	2	A1	450	450	1.000	233	1622
		3	A1	154	150	0.975	233	1623
		5	B2	652	610	0.936	233	1624
		6	B2	201	200	0.996	233	1625
SiH3F	monofluorosilane	2	A1	1055	990	0.938	234	1626
		6	E	761	728	0.957	234	1627
SiCl2	Dichlorosilylene	1	A1	521	522	1.001	235	1628
		3	B2	512	509	0.994	235	1629
BeF	Beryllium monofluoride	1	Σ	1237	1247	1.009	236	1630
BeH	beryllium monohydride	1	Σ	2059	2061	1.001	237	1631
BeS	beryllium sulfide	1	Σ	990	998	1.008	238	1632
B2Cl4	Diboron tetrachloride	1	A1	1163	1122	0.965	239	1633
		2	A1	416	401	0.965	239	1634
		5	B2	755	728	0.965	239	1635
		7	E	960	917	0.955	239	1636
BHF2	Difluoroborane	1	A1	2740	2621	0.957	240	1637
		2	A1	1165	1164	1.000	240	1638
		4	B1	965	924	0.957	240	1639
		5	B2	1433	1402	0.979	240	1640
PH2	Phosphino radical	1	A1	2431	2310	0.950	241	1641
SiH3	silyl	2	A1	800	728	0.910	242	1642
		3	E	2302	2185	0.949	242	1643
		4	E	961	922	0.959	242	1644
BH	Boron monohydride	1	Σ	2352	2367	1.006	243	1645
B2O2	Diboron dioxide	2	Σg	614	585	0.952	244	1646
		3	Σu	1933	1898	0.982	244	1647
		5	Πu	223	213	0.954	244	1648
NH2	Amino radical	1	A1	3381	3219	0.952	245	1649
		3	B2	3469	3301	0.952	245	1650
N2F2	Dinitrogen difluoride, (E)-	1	Ag	1626	1523	0.936	246	1651
		2	Ag	1109	1018	0.918	246	1652
		4	Au	378	364	0.964	246	1653
		5	Bu	1055	991	0.939	246	1654
AlF2Cl	Aluminum chloride difluoride	2	A1	522	500	0.958	247	1655
		3	A1	235	250	1.064	247	1656
		5	B2	974	900	0.924	247	1657
		6	B2	184	200	1.085	247	1658
HPO	HPO	3	A'	1047	986	0.941	248	1659
SiH2	silicon dihydride	2	A1	1050	999	0.951	249	1660
SO	Sulfur monoxide	1	Σ	1136	1151	1.013	250	1661
		1	Σ	1088	1151	1.057	250	1662
SH	Mercapto radical	1	Σ	2732	2696	0.987	251	1663
PH	phosphorus monohydride	1	Σ	2390	2364	0.989	252	1664
		1	Σ	2415	2364	0.979	252	1665
		1	Σ	2390	2415	1.010	252	1666
		1	Σ	2415	2415	1.000	252	1667
		1	Σ	2390	2403	1.005	252	1668
		1	Σ	2415	2403	0.995	252	1669
AlH	aluminum monohydride	1	Σ	1716	1682	0.980	253	1670
HOF	Hypofluorous acid	1	A'	3840	3537	0.921	254	1671
		2	A'	1421	1393	0.980	254	1672
HNO	Nitrosyl hydride	1	A'	2947	2684	0.911	255	1673
		3	A'	1591	1501	0.943	255	1674
MgH	magnesium monohydride	1	Σ	1485	1493	1.006	256	1675
AlH2	aluminum dihydride	1	A1	1887	1770	0.938	257	1676
HBS	hydrogen boron sulfide	1	Σ	2843	2736	0.962	258	1677
MgCl	magnesium monochloride	1	Σ	463	462	0.998	259	1678
PF	phosphorus monofluoride	1	Σ	817	847	1.037	260	1679
		1	Σ	829	847	1.022	260	1680
B2H6	Diborane	1	Ag	2627	2524	0.961	261	1681
		4	Ag	816	794	0.973	261	1682
		7	B1g	948	915	0.965	261	1683
		10	B2g	1893	1768	0.934	261	1684
		13	B2u	998	950	0.952	261	1685
		15	B3g	1092	1012	0.927	261	1686
		16	B3u	2611	2525	0.967	261	1687
		18	B3u	1209	1177	0.974	261	1688
HBO	Boron hydride oxide	1	Σ	2906	2850	0.981	262	1689
		3	Π	783	756	0.966	262	1690
BeOH	beryllium hydroxide	2	A'	1263	1246	0.986	263	1691
SSO	Disulfur monoxide	2	A'	669	679	1.014	264	1692
		3	A'	385	380	0.987	264	1693
S2	Sulfur diatomic	1	Σg	700	726	1.036	265	1694
		1	Σg	673	726	1.079	265	1695
Na2	Sodium diatomic	1	Σg	153	159	1.038	266	1696
ClS2	Sulfur chloride	2	A'	422	450	1.068	267	1697
H2CO	Formaldehyde	3	A1	1566	1500	0.958	268	1698
		6	B2	1290	1249	0.968	268	1699
C3H4O2	β–Propiolactone	3	A'	1956	1882	0.962	269	1700
		6	A'	1384	1319	0.953	269	1701
		14	A"	3188	3028	0.950	269	1702
		17	A"	1189	1139	0.958	269	1703
		20	A"	524	490	0.935	269	1704
CH3CH2OH	Ethanol	2	A'	3137	2984	0.951	270	1705
		5	A'	1559	1490	0.956	270	1706
		8	A'	1427	1371	0.961	270	1707
		11	A'	1070	1028	0.961	270	1708
		19	A"	835	812	0.973	270	1709
HCOOH	Formic acid	2	A'	3108	2943	0.947	271	1710
		5	A'	1350	1229	0.910	271	1711
CH3COOH	Acetic acid	3	A'	3079	2944	0.956	272	1712
		6	A'	1446	1382	0.956	272	1713
		9	A'	1022	989	0.968	272	1714
		17	A"	541	534	0.988	272	1715
CH3OH	Methyl alcohol	1	A'	3924	3681	0.938	273	1716
		4	A'	1536	1477	0.962	273	1717
		7	A'	1113	1060	0.952	273	1718
CHCl3	Chloroform	3	A1	381	366	0.960	274	1719
		5	E	816	774	0.949	274	1720
C2H6O2S	Dimethyl sulfone	4	A1	1400	1337	0.955	275	1721
		7	A1	706	703	0.995	275	1722
		10	A2	3194	3024	0.947	275	1723
		13	A2	301	326	1.084	275	1724
		16	B1	1479	1428	0.966	275	1725
		24	B2	1380	1322	0.958	275	1726
		27	B2	462	465	1.006	275	1727
C6H6	Benzene	1	A1g	3221	3062	0.951	276	1728
		4	A2u	686	673	0.981	276	1729
		7	B2g	919	995	1.082	276	1730
		16	E2g	1661	1596	0.961	276	1731
		19	E2u	937	975	1.040	276	1732
CH3CCl3	Ethane, 1,1,1-trichloro-	1	A1	3084	2951	0.957	277	1733
		8	E	1495	1457	0.975	277	1734
		11	E	359	351	0.977	277	1735
CH4	Methane	2	E	1573	1534	0.975	278	1736
C2H6	Ethane	1	A1g	3053	2896	0.948	279	1737
		8	Eg	1522	1468	0.964	279	1738
		11	Eu	1526	1460	0.957	279	1739
C2H4	Ethylene	1	Ag	3169	3026	0.955	280	1740
		4	Au	1055	1023	0.970	280	1741
		7	B2g	923	940	1.018	280	1742
		10	B3g	3230	3086	0.955	280	1743
C2H2	Acetylene	3	Σu	3438	3289	0.957	281	1744
		5	Πu	774	730	0.943	281	1745
CH3Cl	Methyl chloride	1	A1	3097	2966	0.958	282	1746
		4	E	3195	3042	0.952	282	1747
CH3NH2	methyl amine	3	A'	3004	2820	0.939	283	1748
		6	A'	1485	1430	0.963	283	1749
		9	A'	908	780	0.859	283	1750
		12	A"	1540	1485	0.964	283	1751
HCN	Hydrogen cyanide	3	Π	766	712	0.929	284	1752
CH3SH	Methanethiol	2	A'	3079	2931	0.952	285	1753
		5	A'	1415	1335	0.944	285	1754
		8	A'	741	708	0.956	285	1755
C3H8	Propane	5	A1	1513	1462	0.966	286	1756
		8	A1	896	869	0.970	286	1757
		11	A2	1511	1451	0.960	286	1758
		14	A2	220	216	0.982	286	1759
		17	B1	1528	1472	0.963	286	1760
		20	B1	284	268	0.945	286	1761
CH3CH2Cl	Ethyl chloride	2	A'	3110	2946	0.947	287	1762
		10	A'	709	677	0.955	287	1763
		13	A"	3145	2986	0.949	287	1764
		16	A"	1117	974	0.872	287	1765
CH2CHCl	Ethene, chloro-	2	A'	3238	3086	0.953	288	1766
		5	A'	1425	1368	0.960	288	1767
		8	A'	743	720	0.969	288	1768
		11	A"	903	896	0.992	288	1769
CH2CHF	Ethene, fluoro-	8	A'	952	929	0.976	289	1770
		11	A"	867	863	0.995	289	1771
CH3CH2NH2	Ethylamine	3	A'	3060	2840	0.928	290	1772
		11	A'	1099	1086	0.988	290	1773
		14	A'	404	403	0.998	290	1774
		17	A"	3092	2906	0.940	290	1775
		20	A"	1296	1293	0.998	290	1776
		23	A"	317	259	0.817	290	1777
CH3CN	Acetonitrile	3	A1	1436	1385	0.965	291	1778
		7	E	1077	1041	0.966	291	1779
CH3CHO	Acetaldehyde	5	A'	1488	1433	0.963	292	1780
		8	A'	1146	1114	0.972	292	1781
		11	A"	3123	2964	0.949	292	1782
		14	A"	788	764	0.970	292	1783
CH3CH2SH	ethanethiol	1	A'	3134	2966	0.946	293	1784
		4	A'	2755	2580	0.937	293	1785
		7	A'	1444	1385	0.959	293	1786
		15	A"	3125	2930	0.937	293	1787
		18	A"	1084	1049	0.968	293	1788
CH2Cl2	Methylene chloride	1	A1	3153	2999	0.951	294	1789
CH2F2	Methane, difluoro-	6	B1	3173	3014	0.950	295	1790
		9	B2	1160	1090	0.940	295	1791
HNCO	Isocyanic acid	1	A'	3722	3538	0.951	296	1792
		4	A'	817	777	0.951	296	1793
CS2	Carbon disulfide	3	Πu	379	397	1.049	297	1794
CH3SCH3	Dimethyl sulfide	1	A1	3156	2998	0.950	298	1795
		4	A1	1418	1331	0.939	298	1796
		7	A1	274	282	1.029	298	1797
		15	B1	186	182	0.980	298	1798
		18	B2	1497	1444	0.964	298	1799
		21	B2	778	743	0.955	298	1800
C3H6	Cyclopropane	4	A1"	1181	1126	0.953	299	1801
		7	A2"	871	854	0.980	299	1802
		9	E'	1496	1438	0.961	299	1803
		12	E"	3237	3082	0.952	299	1804
C2H4O	Ethylene oxide	2	A1	1574	1498	0.952	300	1805
		5	A1	915	877	0.959	300	1806
CH3CH(CH3)CH3	Isobutane	1	A1	3115	2962	0.951	301	1807
		4	A1	1536	1477	0.962	301	1808
		12	A2	200	198	0.992	301	1809
		14	E	3105	2962	0.954	301	1810
		17	E	1510	1475	0.977	301	1811
		24	E	266			301	1812
CH3CHClCH3	Propane, 2-chloro-	1	A'	3154	3005	0.953	302	1813
		4	A'	3058	2878	0.941	302	1814
		7	A'	1452	1390	0.958	302	1815
		10	A'	1111	1065	0.958	302	1816
		13	A'	430	418	0.973	302	1817
		21	A"	1439	1377	0.957	302	1818
		24	A"	975	972	0.997	302	1819
		27	A"	252	276	1.093	302	1820
CH2CCl2	Ethene, 1,1-dichloro-	2	A1	1684	1627	0.966	303	1821
		5	A1	312	299	0.959	303	1822
		8	B1	465	460	0.989	303	1823
		11	B2	827	800	0.968	303	1824
CH3COCl	Acetyl Chloride	2	A'	3080	2948	0.957	304	1825
		10	A'	350	348	0.995	304	1826
		13	A"	1063	1032	0.971	304	1827
CH3CHF2	Ethane, 1,1-difluoro-	2	A'	3125	2975	0.952	305	1828
		5	A'	1478	1413	0.956	305	1829
		8	A'	1178	1140	0.967	305	1830
		11	A'	476	468	0.982	305	1831
CH2CF2	Ethene, 1,1-difluoro-	3	A1	1433	1360	0.949	306	1832
		6	A2	734	714	0.973	306	1833
CCl2O	Phosgene	5	B2	886	849	0.958	307	1834
CFCl3	Trichloromonofluoromethane	2	A1	548	535	0.977	308	1835
		6	E	260	241	0.927	308	1836
CF3Cl	Methane, chlorotrifluoro-	2	A1	801	781	0.975	309	1837
		6	E	360	350	0.973	309	1838
C2F6	hexafluoroethane	2	A1g	824	809	0.982	310	1839
		5	A2u	1150	1117	0.971	310	1840
		10	Eu	1310	1251	0.955	310	1841
C5H8	1,3-Butadiene, 2-methyl-	5	A'	3158	3000	0.950	311	1842
		8	A'	1728	1638	0.948	311	1843
		11	A'	1479	1420	0.960	311	1844
		14	A'	1347	1313	0.975	311	1845
		17	A'	1018	1012	0.994	311	1846
		25	A"	1079	1034	0.958	311	1847
		28	A"	893	907	1.016	311	1848
		31	A"	387	290	0.749	311	1849
CHOCH(CH3)CH3	Propanal, 2-methyl-	3	A'	3091	2940	0.951	312	1850
		11	A'	1340	1329	0.992	312	1851
		14	A'	949	922	0.972	312	1852
		17	A'	354	395	1.115	312	1853
		20	A"	3129	2990	0.955	312	1854
		23	A"	1514	1467	0.969	312	1855
		26	A"	1371	1290	0.941	312	1856
CH2ClCHClCH3	Propane, 1,2-dichloro-	3	A	3152	2991	0.949	313	1857
		6	A	3068	2908	0.948	313	1858
		9	A	1495	1446	0.967	313	1859
		12	A	1370	1286	0.939	313	1860
		15	A	1177	1120	0.951	313	1861
		23	A	365	358	0.981	313	1862
		26	A	214	203	0.949	313	1863
CHClCCl2	Trichloroethylene	4	A'	979	931	0.951	314	1864
		7	A'	395	384	0.971	314	1865
		10	A"	812	780	0.960	314	1866
CH3COOCH3	methyl acetate	1	A'	3190	3035	0.952	315	1867
		9	A'	1428	1375	0.963	315	1868
		12	A'	1112	1060	0.953	315	1869
		15	A'	656	639	0.974	315	1870
		18	A"	3155	3005	0.952	315	1871
		21	A"	1501	1430	0.953	315	1872
C6H5CHO	benzaldehyde	2	A'	3218	3081	0.958	316	1873
		5	A'	3184	3034	0.953	316	1874
		8	A'	1673	1614	0.965	316	1875
		11	A'	1498	1460	0.974	316	1876
		14	A'	1304	1276	0.979	316	1877
		22	A'	659	649	0.985	316	1878
		25	A'	221	224	1.011	316	1879
		28	A"	933	978	1.049	316	1880
		31	A"	738	740	1.002	316	1881
		34	A"	400	400	1.000	316	1882
CH3CH2CH2CH3	Butane	2	Ag	3045	2872	0.943	317	1883
		5	Ag	1511	1442	0.954	317	1884
		13	Au	3082	2930	0.951	317	1885
		16	Au	972	948	0.975	317	1886
		19	Au	113	102	0.905	317	1887
		22	Bg	1521	1460	0.960	317	1888
		25	Bg	823	803	0.976	317	1889
		36	Bu	259	271	1.048	317	1890
CH2CHCHCH2	1,3-Butadiene	2	Ag	3168	3003	0.948	318	1891
		5	Ag	1489	1438	0.966	318	1892
		8	Ag	902	894	0.992	318	1893
		16	Bg	754	770	1.021	318	1894
		19	Bu	3158	2984	0.945	318	1895
		22	Bu	1322	1294	0.978	318	1896
CHCCH2CH3	1-Butyne	3	A'	3065			319	1897
		6	A'	1527	1470	0.963	319	1898
		9	A'	1380	1322	0.958	319	1899
		12	A'	856	840	0.981	319	1900
		15	A'	195	197	1.008	319	1901
		23	A"	354	344	0.970	319	1902
CH2ClCH2Cl	Ethane, 1,2-dichloro-	1	Ag	3124	2957	0.946	320	1903
		9	Au	796	773	0.971	320	1904
		12	Bg	1333	1264	0.948	320	1905
		15	Bu	1507	1461	0.970	320	1906
		18	Bu	223	222	0.997	320	1907
C3H3N	acrylonitrile	2	A'	3217	3078	0.957	321	1908
		5	A'	1687	1615	0.957	321	1909
		8	A'	1113	1096	0.984	321	1910
		11	A'	236	242	1.027	321	1911
		14	A"	693	683	0.985	321	1912
C3H6O	2-Propen-1-ol	2	A	3247	3102	0.955	322	1913
		10	A	1447	1384	0.956	322	1914
		13	A	1271	1191	0.937	322	1915
		16	A	1023	1038	1.015	322	1916
		19	A	928	885	0.954	322	1917
		22	A	338	377	1.116	322	1918
C2H2O2	Ethanedial	1	Ag	3001	2843	0.947	323	1919
		4	Ag	1096	1065	0.972	323	1920
		7	Au	142	127	0.894	323	1921
		10	Bu	1797	1732	0.964	323	1922
CH3OCHO	methyl formate	3	A'	3080	2943	0.955	324	1923
		6	A'	1501	1445	0.963	324	1924
		9	A'	1215	1166	0.960	324	1925
		17	A"	340	332	0.977	324	1926
C6H5Cl	chlorobenzene	3	A1	3195	3031	0.949	325	1927
		11	A1	422	417	0.987	325	1928
		14	A2	403	403	1.001	325	1929
		17	B1	733	741	1.010	325	1930
		20	B1	187	198	1.059	325	1931
		23	B2	1653	1598	0.967	325	1932
		26	B2	1275	1271	0.997	325	1933
C5H12	Pentane	3	A1	3042	2866	0.942	326	1934
		6	A1	1519	1463	0.963	326	1935
		9	A1	1390	1346	0.968	326	1936
		17	A2	1522	1462	0.960	326	1937
		20	A2	1002	993	0.991	326	1938
		23	A2	95	131	1.378	326	1939
		26	B1	3053	2930	0.960	326	1940
		29	B1	1232	1170	0.950	326	1941
		37	B2	1528	1476	0.966	326	1942
		40	B2	1435	1379	0.961	326	1943
		43	B2	1061	1024	0.965	326	1944
CH3CH2CH2CN	Butanenitrile	1	A'	3133	2977	0.950	327	1945
		4	A'	3050	2883	0.945	327	1946
		12	A'	1137	1100	0.968	327	1947
		15	A'	893	842	0.943	327	1948
		18	A'	166			327	1949
		21	A"	3101	2950	0.951	327	1950
		24	A"	1283	1234	0.962	327	1951
		27	A"	753	764	1.015	327	1952
C3H2N2	Malononitrile	8	A2	364	367	1.008	328	1953
		11	B1	337	337	0.999	328	1954
		14	B2	998	982	0.984	328	1955
C4H5N	Pyrrole	1	A1	3728	3531	0.947	329	1956
		4	A1	1528	1472	0.963	329	1957
		7	A1	1103	1075	0.974	329	1958
		10	A2	827	864	1.044	329	1959
		18	B2	3255	3119	0.958	329	1960
		21	B2	1321	1288	0.975	329	1961
		24	B2	878	866	0.986	329	1962
C4H8O	Furan, tetrahydro-	3	A	3070	2913	0.949	330	1963
		6	A	1522	1462	0.960	330	1964
		9	A	1287	1227	0.954	330	1965
		12	A	1058	1029	0.973	330	1966
		20	B	3071	2912	0.948	330	1967
		23	B	1510	1450	0.960	330	1968
		26	B	1280	1244	0.972	330	1969
		29	B	982	955	0.972	330	1970
		32	B	579	591	1.021	330	1971
C4H4O	Furan	1	A1	3309	3161	0.955	331	1972
		4	A1	1433	1384	0.966	331	1973
		7	A1	1022	995	0.973	331	1974
		15	B2	3302	3154	0.955	331	1975
		18	B2	1294	1267	0.979	331	1976
		21	B2	890	873	0.981	331	1977
C4H4S	Thiophene	2	A1	3241	3098	0.956	332	1978
		5	A1	1118	1083	0.969	332	1979
		8	A1	622	608	0.978	332	1980
		11	A2	535	567	1.061	332	1981
		19	B2	1121	1085	0.968	332	1982
C4H4N2	Succinonitrile	3	Ag	1500	1422	0.948	333	1983
		6	Ag	977	809	0.828	333	1984
		9	Au	3153	2985	0.947	333	1985
		12	Au	395	357	0.904	333	1986
		20	Bu	1506	1425	0.946	333	1987
		23	Bu	521	526	1.009	333	1988
C5H5N	Pyridine	2	A1	3202	3073	0.960	334	1989
		5	A1	1529	1483	0.970	334	1990
		8	A1	1050	1032	0.983	334	1991
		19	B2	3219	3087	0.959	334	1992
		22	B2	1482	1442	0.973	334	1993
		25	B2	1155	1143	0.990	334	1994
C3H6O3	1,3,5-Trioxane	2	A1	2998	2855	0.952	335	1995
		5	A1	1015	970	0.956	335	1996
		12	E	2979	2855	0.958	335	1997
		15	E	1368	1309	0.957	335	1998
		18	E	1000	935	0.935	335	1999
C5H11N	Piperidine	3	A'	3092	2931	0.948	336	2000
		6	A'	3035	2850	0.939	336	2001
		9	A'	1516	1452	0.958	336	2002
		12	A'	1407	1365	0.970	336	2003
		15	A'	1190	1164	0.978	336	2004
		23	A'	428	432	1.009	336	2005
		26	A"	3099	2940	0.949	336	2006
		29	A"	2945	2803	0.952	336	2007
		32	A"	1494	1436	0.961	336	2008
		35	A"	1370	1285	0.938	336	2009
		43	A"	829	810	0.977	336	2010
CH2CHCH3	Propene	2	A'	3163	3013	0.953	337	2011
		5	A'	3044	2871	0.943	337	2012
		16	A"	1502	1443	0.961	337	2013
		19	A"	918	912	0.993	337	2014
CH3OCH3	Dimethyl ether	3	A1	1549	1464	0.945	338	2015
		6	A1	981	928	0.946	338	2016
		14	B1	1222	1179	0.964	338	2017
		17	B2	2994	2817	0.941	338	2018
		20	B2	1237	1227	0.992	338	2019
CH2C(CH3)CH3	1-Propene, 2-methyl-	7	A1	1432	1366	0.954	339	2020
		10	A1	374	383	1.024	339	2021
		13	A2	1028	1076	1.047	339	2022
		16	B1	3098	2945	0.951	339	2023
		19	B1	889	890	1.001	339	2024
		27	B2	1318	1282	0.973	339	2025
		30	B2	432	430	0.995	339	2026
C2F4	Tetrafluoroethylene	3	Ag	404	394	0.976	340	2027
		6	B1u	562	558	0.993	340	2028
		9	B2u	212	218	1.026	340	2029
CH3CH2CHO	Propanal	2	A'	3068	2904	0.947	341	2030
		5	A'	1821	1743	0.957	341	2031
		8	A'	1449	1390	0.959	341	2032
		11	A'	1134	1093	0.964	341	2033
		19	A"	1299	1250	0.962	341	2034
		22	A"	688	660	0.959	341	2035
C4H9N	Pyrrolidine	4	A'	3087	2889	0.936	342	2036
		7	A'	1528	1447	0.947	342	2037
		10	A'	1275	1228	0.963	342	2038
		13	A'	1024	920	0.898	342	2039
		16	A'	910	832	0.914	342	2040
		24	A"	1537	1459	0.950	342	2041
		27	A"	1349	1268	0.940	342	2042
		30	A"	1219	1171	0.961	342	2043
		33	A"	952	883	0.928	342	2044
		36	A"	58	65	1.118	342	2045
C4H8O2	1,4-Dioxane	3	Ag	1520	1444	0.950	343	2046
		6	Ag	1167	1128	0.967	343	2047
		9	Ag	446	435	0.976	343	2048
		12	Au	3009	2863	0.951	343	2049
		20	Bg	3121	2968	0.951	343	2050
		23	Bg	1378	1335	0.969	343	2051
		26	Bg	878	853	0.972	343	2052
		29	Bu	3023	2863	0.947	343	2053
		32	Bu	1347	1291	0.958	343	2054
C2Cl4	Tetrachloroethylene	1	Ag	1662	1571	0.945	344	2055
		4	Au	98	110	1.123	344	2056
		7	B2g	534	512	0.959	344	2057
		10	B3g	1034	1000	0.967	344	2058
C5H8	Cyclopentene	7	A'	1533	1467	0.957	345	2059
		10	A'	1257	1284	1.022	345	2060
		13	A'	989	964	0.974	345	2061
		16	A'	717	692	0.965	345	2062
		19	A"	3197	3039	0.950	345	2063
		27	A"	1166	1207	1.035	345	2064
		30	A"	932	937	1.005	345	2065
		33	A"	392	387	0.987	345	2066
C2H5N	Aziridine	1	A'	3542	3338	0.942	346	2067
		4	A'	1558	1482	0.952	346	2068
		7	A'	1151	1090	0.947	346	2069
		10	A'	794	773	0.974	346	2070
		13	A"	1523	1463	0.961	346	2071
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	3	A1	1243	1179	0.949	347	2072
		6	A2	905	876	0.968	347	2073
		9	B2	3234	3072	0.950	347	2074
		12	B2	580	571	0.985	347	2075
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1	Ag	3253	3073	0.945	348	2076
		4	Ag	885	846	0.956	348	2077
		7	Au	213	227	1.065	348	2078
C4H6	Bicyclo[1.1.0]butane	7	A1	879	839	0.955	349	2079
		10	A2	1205	1172	0.973	349	2080
		13	A2	878	838	0.954	349	2081
		16	B1	1160	1092	0.941	349	2082
		19	B2	3195	3044	0.953	349	2083
C5H8	Spiropentane	2	A1	1522	1423	0.935	350	2084
		5	A1	609	588	0.966	350	2085
		8	A2	856	919	1.073	350	2086
		16	B2	1051	990	0.942	350	2087
		20	E	1487	1431	0.962	350	2088
		23	E	911	870	0.955	350	2089
C8H8	cubane	8	Eu	612	617	1.008	351	2090
		14	T2g	1231	1182	0.960	351	2091
		15	T2g	844	821	0.972	351	2092
		16	T2g	663	665	1.003	351	2093
		17	T2u	1091	1036	0.950	351	2094
		18	T2u	844	829	0.983	351	2095
C4H8	cyclobutane	8	A2	973	941	0.967	352	2096
		11	B1	959	928	0.968	352	2097
		14	B2	1514	1440	0.951	352	2098
		17	E	3129	2959	0.946	352	2099
C3H6S	Thietane	3	A'	3094	2946	0.952	353	2100
		11	A'	884	845	0.955	353	2101
		14	A'	173			353	2102
		17	A"	1509	1454	0.964	353	2103
		20	A"	1221	1165	0.954	353	2104
		23	A"	853	823	0.965	353	2105
C3H4N2	1H-Pyrazole	8	A'	1413	1358	0.961	354	2106
		11	A'	1157	1121	0.969	354	2107
		14	A'	944	924	0.979	354	2108
		17	A"	847	833	0.984	354	2109
		20	A"	628	623	0.992	354	2110
C3H3NO	Isoxazole	2	A'	3290	3128	0.951	355	2111
		5	A'	1497	1560	1.042	355	2112
		13	A'	920			355	2113
		16	A"	790	764	0.967	355	2114
C3H4N2	1H-Imidazole	8	A'	1387	1265	0.912	356	2115
		11	A'	1164	1062	0.913	356	2116
		14	A'	947	923	0.975	356	2117
		17	A"	840	758	0.902	356	2118
		20	A"	636	621	0.976	356	2119
C3H3NO	Oxazole	2	A'	3299	3144	0.953	357	2120
		5	A'	1571	1504	0.958	357	2121
		13	A'	920	854	0.928	357	2122
		16	A"	773	750	0.970	357	2123
C2H3N3	1H-1,2,4-Triazole	10	A'	1161	1155	0.995	358	2124
		13	A'	967	930	0.961	358	2125
		16	A"	697	693	0.994	358	2126
CH2N4	1H-Tetrazole	1	A'	3718	3447	0.927	359	2127
		4	A'	1496	1384	0.925	359	2128
		7	A'	1164	1084	0.932	359	2129
		10	A'	1021	969	0.949	359	2130
		13	A"	737	663	0.899	359	2131
C4H4N2	Pyridazine	2	A1	3208	3043	0.949	360	2132
		5	A1	1178	1283	1.090	360	2133
		8	A1	987	964	0.977	360	2134
		11	A2	942	863	0.916	360	2135
		19	B2	1635	1565	0.957	360	2136
		22	B2	1087	1052	0.968	360	2137
C4H4N2	1,3-Diazine	3	A1	3188	3049	0.956	361	2138
		11	A2	405	398	0.984	361	2139
		14	B1	823	804	0.976	361	2140
		17	B2	3192	3047	0.955	361	2141
		20	B2	1405	1356	0.965	361	2142
		23	B2	1101	1071	0.973	361	2143
C4H4N2	Pyrazine	2	Ag	1655	1580	0.955	362	2144
		5	Ag	608	602	0.990	362	2145
		8	B1g	949	927	0.977	362	2146
		16	B2u	1451	1411	0.973	362	2147
		19	B3g	3190	3040	0.953	362	2148
		22	B3g	717	704	0.982	362	2149
C3H3N3	1,3,5-Triazine	3	A1'	1022	992	0.970	363	2150
		11	E'	1213	1176	0.970	363	2151
		14	E"	352	340	0.967	363	2152
N2H4	Hydrazine	3	A	1711	1642	0.960	364	2153
		6	A	907	780	0.860	364	2154
		9	B	3489	3314	0.950	364	2155
		12	B	1072	966	0.901	364	2156
C2H5SC2H5	Diethyl sulfide	6	A1	1444	1380	0.956	365	2157
		9	A1	1023	974	0.952	365	2158
		12	A1	145			365	2159
		15	A2	1512			365	2160
		18	A2	799			365	2161
		21	B1	3138	2967	0.945	365	2162
		29	B2	3131	2967	0.948	365	2163
		32	B2	1523	1450	0.952	365	2164
		35	B2	1330	1259	0.946	365	2165
		38	B2	726	693	0.954	365	2166
CF2O	Carbonic difluoride	1	A1	2024	1928	0.953	366	2167
		4	B1	794	774	0.975	366	2168
CF3CN	Acetonitrile, trifluoro-	4	A1	532	522	0.981	367	2169
		6	E	638	618	0.968	367	2170
C2H4S	Thiirane	1	A1	3159	3014	0.954	368	2171
CH3CF3	Ethane, 1,1,1-trifluoro-	2	A1	1471	1412	0.960	369	2172
		5	A1	612	606	0.989	369	2173
		9	E	1296	1230	0.949	369	2174
C4H2	Diacetylene	1	Σg	3487	3293	0.944	370	2175
		9	Πu	216	231	1.070	370	2176
C2N2	Cyanogen	2	Σg	860	846	0.983	371	2177
CH2CCH2	allene	2	A1	1503	1443	0.960	372	2178
		5	B2	3156	3007	0.953	372	2179
		8	E	3240	3086	0.953	372	2180
CH2CO	Ketene	3	A1	1433	1388	0.969	373	2181
OCS	Carbonyl sulfide	2	Σ	874	859	0.982	374	2182
C5H12	Propane, 2,2-dimethyl-	2	A1	1462	1381	0.945	375	2183
		5	E	3107	2955	0.951	375	2184
		10	T1	1504	1461	0.972	375	2185
		11	T1	974	932	0.957	375	2186
		12	T1	283	203	0.718	375	2187
		13	T2	3114	2959	0.950	375	2188
		14	T2	3032	2876	0.949	375	2189
C6H6	Fulvene	6	A1	1470	1449	0.986	376	2190
		9	A1	1005	986	0.981	376	2191
		12	A2	887			376	2192
		15	A2	471	494	1.050	376	2193
		18	B1	754	769	1.021	376	2194
		21	B2	3250			376	2195
		29	B2	810	795	0.982	376	2196
CH3CCCH3	2-Butyne	3	A1'	1444	1380	0.956	377	2197
		6	A2"	3059	2938	0.961	377	2198
		9	E'	3129	2973	0.950	377	2199
		12	E'	199	213	1.069	377	2200
C5H10	2-Butene, 2-methyl-	4	A'	3131	2972	0.949	378	2201
		7	A'	3035	2908	0.958	378	2202
		10	A'	1521	1453	0.955	378	2203
		27	A"	3090	2972	0.962	378	2204
		30	A"	1494	1453	0.973	378	2205
C5H6	1,3-Cyclopentadiene	2	A1	3225	3075	0.954	379	2206
		5	A1	1456	1378	0.947	379	2207
		13	A2	712	700	0.983	379	2208
		16	B1	945	925	0.979	379	2209
		19	B1	337	350	1.039	379	2210
		22	B2	1656	1580	0.954	379	2211
		25	B2	1120	1090	0.973	379	2212
CH3COF	Acetyl fluoride	3	A'	1945	1870	0.962	380	2213
		6	A'	1244	1188	0.955	380	2214
		9	A'	611	598	0.978	380	2215
		12	A"	1501	1437	0.957	380	2216
CH2CHCHClCH3	1-Butene, 3-chloro-	2	A	3178	3017	0.949	381	2217
		10	A	1508	1447	0.960	381	2218
		13	A	1349	1297	0.962	381	2219
		16	A	1215	1174	0.966	381	2220
		19	A	1019	988	0.970	381	2221
		22	A	896	864	0.964	381	2222
		25	A	467	456	0.975	381	2223
CH3CHCHCH3	2-Butene, (Z)-	1	A1	3174	3033	0.956	382	2224
		4	A1	1749	1669	0.954	382	2225
		7	A1	1299	1261	0.971	382	2226
		10	A1	293	290	0.990	382	2227
		18	B1	1509	1448	0.960	382	2228
		24	B2	3047	2900	0.952	382	2229
		27	B2	1405	1397	0.995	382	2230
		30	B2	564	583	1.033	382	2231
CH2CCHCH3	1,2-Butadiene	2	A'	3152	3010	0.955	383	2232
		5	A'	2055	1970	0.958	383	2233
		8	A'	1436	1389	0.967	383	2234
		11	A'	1104	1074	0.973	383	2235
		14	A'	562	555	0.988	383	2236
		22	A"	533	523	0.981	383	2237
C6H10	1,5-Hexadiene	3	Ag	3151	2984	0.947	384	2238
		6	Ag	1508	1442	0.956	384	2239
		9	Ag	1339	1280	0.956	384	2240
		12	Ag	924	924	1.000	384	2241
		20	Au	567	649	1.146	384	2242
		23	Bg	3061	2911	0.951	384	2243
		26	Bg	1028	996	0.969	384	2244
		29	Bg	161	264	1.638	384	2245
		32	Bu	3151	2975	0.944	384	2246
CH3F	Methyl fluoride	3	A1	1103	1049	0.951	385	2247
		5	E	1515	1467	0.969	385	2248
CH3PH2	Methyl phosphine	1	A'	3157	3000	0.950	386	2249
		4	A'	1487	1450	0.975	386	2250
		12	A"	1494	1450	0.971	386	2251
		15	A"	237	207	0.875	386	2252
C5H8	1,2-Butadiene, 3-methyl-	2	A1	3145	2941	0.935	387	2253
		5	A1	1536	1470	0.957	387	2254
		13	A2	1497	1470	0.982	387	2255
		19	B1	1512	1470	0.972	387	2256
		22	B1	432	443	1.026	387	2257
		25	B2	3146	2941	0.935	387	2258
		28	B2	1427	1369	0.959	387	2259
CH3NO3	Methyl nitrate	3	A'	1759	1678	0.954	388	2260
		6	A'	1376	1287	0.935	388	2261
		9	A'	914	854	0.934	388	2262
		12	A'	363	340	0.938	388	2263
C5H6S	Thiophene, 3-methyl-	1	A'	3267	3111	0.952	389	2264
		4	A'	3135	2971	0.948	389	2265
		12	A'	1204	1154	0.959	389	2266
		15	A'	954	931	0.976	389	2267
		18	A'	673	659	0.980	389	2268
		21	A"	3112	2945	0.946	389	2269
		24	A"	869	874	1.006	389	2270
		27	A"	554	594	1.073	389	2271
CH3CHCHCH3	2-Butene, (E)-	1	Ag	3146	3011	0.957	390	2272
		4	Ag	1758	1680	0.956	390	2273
		7	Ag	1337	1309	0.979	390	2274
		15	Au	244	224	0.918	390	2275
		18	Bg	1501	1457	0.970	390	2276
		24	Bu	3042	2899	0.953	390	2277
		27	Bu	1340	1311	0.978	390	2278
CH3SCH2CH3	Ethane, (methylthio)-	1	A'	3156	2991	0.948	391	2279
		4	A'	3059	2871	0.939	391	2280
		7	A'	1512	1435	0.949	391	2281
		10	A'	1404	1321	0.941	391	2282
		13	A'	1024			391	2283
		21	A"	3105	2920	0.941	391	2284
		24	A"	1291	1239	0.960	391	2285
		27	A"	808	757	0.936	391	2286
		30	A"	64			391	2287
CH3ONO	Methyl nitrite	2	A'	3076	2950	0.959	392	2288
		5	A'	1479	1408	0.952	392	2289
		13	A"	1188	1143	0.962	392	2290
CH3SSCH3	Disulfide, dimethyl	8	A	1003	949	0.946	393	2291
		11	A	245	240	0.978	393	2292
		14	B	3166	2990	0.944	393	2293
		17	B	1491	1430	0.959	393	2294
		20	B	1009	955	0.946	393	2295
C3H7N	Cyclopropylamine	1	A'	3520	3348	0.951	394	2296
		4	A'	3112	2975	0.956	394	2297
		7	A'	1442	1374	0.953	394	2298
		10	A'	1091	1150	1.055	394	2299
		18	A"	3157	3023	0.958	394	2300
		21	A"	1222	1045	0.855	394	2301
		24	A"	927	884	0.954	394	2302
		27	A"	261	254	0.972	394	2303
C6H8	1,3,5-Hexatriene, (E)-	3	Ag	3159	3054	0.967	395	2304
		6	Ag	1649	1579	0.958	395	2305
		9	Ag	1321	1220	0.923	395	2306
		12	Ag	443	444	1.002	395	2307
		15	Au	961	941	0.979	395	2308
		18	Au	241			395	2309
		26	Bu	3171	3045	0.960	395	2310
		29	Bu	1703	1629	0.956	395	2311
		32	Bu	1287	1255	0.975	395	2312
		35	Bu	541	590	1.091	395	2313
C4H6	Cyclobutene	2	A1	3070	2935	0.956	396	2314
		5	A1	1248	1276	1.022	396	2315
		8	A1	913	886	0.970	396	2316
		16	B1	879	846	0.963	396	2317
		19	B2	3063	2916	0.952	396	2318
		22	B2	1243	1214	0.977	396	2319
C4N2	2-Butynedinitrile	8	Πu	507	472	0.932	397	2320
NaOH	sodium hydroxide	1	Σ	4006	3637	0.908	398	2321
CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	2	A	3145	2971	0.945	399	2322
		5	A	3124	2971	0.951	399	2323
		8	A	3061	2899	0.947	399	2324
		11	A	1527	1448	0.948	399	2325
		14	A	1508	1448	0.960	399	2326
		22	A	1209	1154	0.954	399	2327
		25	A	1007			399	2328
		28	A	948	924	0.975	399	2329
		31	A	667	632	0.948	399	2330
		34	A	339			399	2331
C5H8	1,3-Pentadiene, (Z)-	3	A'	3176	3015	0.949	400	2332
		6	A'	3145	2938	0.934	400	2333
		9	A'	1669	1602	0.960	400	2334
		12	A'	1442	1391	0.965	400	2335
		20	A'	614	627	1.021	400	2336
		23	A"	3103	2975	0.959	400	2337
		26	A"	1017	997	0.980	400	2338
		29	A"	783	773	0.987	400	2339
		32	A"	115	171	1.490	400	2340
Si2H6	disilane	1	A1g	2280	2152	0.944	401	2341
		4	A1u	146	131	0.897	401	2342
		7	Eg	2277	2155	0.946	401	2343
CCl2	dichloromethylene	2	A1	342	335	0.980	402	2344
C5H10S	2H-Thiopyran, tetrahydro-	3	A'	3087	2929	0.949	403	2345
		6	A'	3034	2849	0.939	403	2346
		9	A'	1487	1426	0.959	403	2347
		12	A'	1297	1237	0.954	403	2348
		20	A'	507	504	0.993	403	2349
		23	A'	182	194	1.067	403	2350
		26	A"	3059	2892	0.946	403	2351
		29	A"	1481	1405	0.949	403	2352
		32	A"	1339	1269	0.948	403	2353
		40	A"	712	688	0.966	403	2354
C3H5	Allyl radical	2	A1	3174	3048	0.960	404	2355
		5	A1	1278	1245	0.974	404	2356
		11	B1	754	802	1.063	404	2357
		14	B2	3161	3016	0.954	404	2358
		17	B2	1181	1182	1.001	404	2359
C5H8	1,3-Pentadiene, (E)-	3	A'	3158	3015	0.955	405	2360
		6	A'	3127	2940	0.940	405	2361
		9	A'	1678	1610	0.959	405	2362
		12	A'	1437	1385	0.963	405	2363
		20	A'	482	483	1.002	405	2364
		23	A"	3101	2971	0.958	405	2365
		26	A"	1030	1002	0.973	405	2366
		29	A"	817	820	1.003	405	2367
		32	A"	198	129	0.653	405	2368
CH2NH	Methanimine	1	A'	3470	3263	0.940	406	2369
		9	A"	1092	1061	0.971	406	2370
CF2	Difluoromethylene	1	A1	1267	1225	0.967	407	2371
		1	A1	1162	1225	1.054	407	2372
CF3	Trifluoromethyl radical	2	A1	713	701	0.983	408	2373
		4	E	520	509	0.979	408	2374
C4H9N	Cyclobutylamine	3	A'	3126	2950	0.944	409	2375
		6	A'	3015	2887	0.958	409	2376
		9	A'	1503	1443	0.960	409	2377
		12	A'	1261	1237	0.981	409	2378
		15	A'	987	1050	1.064	409	2379
		23	A"	3129	2970	0.949	409	2380
		26	A"	1373	1213	0.884	409	2381
		29	A"	1244	1036	0.833	409	2382
		32	A"	956	912	0.954	409	2383
		35	A"	399	354	0.887	409	2384
SF6	Sulfur Hexafluoride	3	T1u	961	948	0.986	410	2385
		4	T1u	601	616	1.024	410	2386
		5	T2g	509	525	1.032	410	2387
		6	T2u	341	347	1.018	410	2388
HCO	Formyl radical	1	A'	2696	2434	0.903	411	2389
C3H4	cyclopropene	1	A1	3330	3158	0.948	412	2390
		4	A1	1546	1483	0.959	412	2391
		7	A2	1033	996	0.964	412	2392
		10	B1	1124	1088	0.968	412	2393
C3H3	Propargyl radical	6	B1	623	687	1.102	413	2394
CS	carbon monosulfide	1	Σ	1288	1285	0.998	414	2395
HO2	Hydroperoxy radical	2	A'	1446	1392	0.962	415	2396
NF2	Difluoroamino radical	1	A1	1115	1075	0.965	416	2397
SiH2Cl2	dichlorosilane	1	A1	2354	2224	0.945	417	2398
		4	A1	199	188	0.944	417	2399
		7	B1	621	602	0.969	417	2400
CHOCHCHCH3	2-Butenal	1	A'	3193	3058	0.958	418	2401
		4	A'	3050	2938	0.963	418	2402
		7	A'	1726	1649	0.955	418	2403
		10	A'	1435	1375	0.958	418	2404
		13	A'	1176	1147	0.975	418	2405
		16	A'	543	539	0.992	418	2406
		24	A"	777	780	1.004	418	2407
		27	A"	123	122	0.991	418	2408
C4H5N	Cyclopropanecarbonitrile	5	A'	1538	1468	0.955	419	2409
		8	A'	1156	1125	0.974	419	2410
		11	A'	825	808	0.979	419	2411
		14	A'	212	222	1.048	419	2412
		17	A"	1494	1442	0.965	419	2413
C4H6	Methylenecyclopropane	1	A1	3152	3010	0.955	420	2414
		4	A1	1512	1437	0.950	420	2415
		7	A1	1069	1002	0.937	420	2416
		10	A2	1189	1144	0.962	420	2417
		18	B2	3240	3086	0.952	420	2418
		21	B2	1157	1174	1.014	420	2419
		24	B2	353	290	0.823	420	2420
C5H12S	Propane, 2-methyl-2-(methylthio)-	3	A'	3123	2967	0.950	421	2421
		6	A'	3050	2875	0.943	421	2422
		9	A'	1524	1460	0.958	421	2423
		12	A'	1455	1391	0.956	421	2424
		20	A'	852	815	0.956	421	2425
		23	A'	424	419	0.989	421	2426
		26	A'	282			421	2427
		29	A"	3136	2967	0.946	421	2428
		32	A"	3042	2875	0.945	421	2429
		43	A"	407	403	0.991	421	2430
		46	A"	226			421	2431
HCP	HCP	2	Σ	1319	1278	0.969	422	2432
SO3	Sulfur trioxide	1	A1'	1062	1065	1.003	423	2433
AlCl3	Aluminum trichloride	3	E'	642	595	0.927	424	2434
C2Cl2	dichloroacetylene	2	Σg	478	477	0.997	425	2435
ClFO3	Perchloryl fluoride	2	A1	703	715	1.018	426	2436
		6	E	374	405	1.083	426	2437
SiO2	silicon dioxide	2	Σu	1469	1416	0.964	427	2438
BF3	Borane, trifluoro-	1	A1'	887	888	1.002	428	2439
NaH	sodium hydride	1	Σ	1152	1172	1.017	429	2440
PF5	Phosphorus pentafluoride	6	E'	531	533	1.004	430	2441
HF	Hydrogen fluoride	1	Σ	4250	4138	0.974	431	2442
NH3	Ammonia	1	A1	3500	3337	0.953	432	2443
H2SO4	Sulfuric acid	2	A	1218	1216	0.998	433	2444
		13	B	549	558	1.017	433	2445
NaF	sodium fluoride	1	Σ	573	536	0.934	434	2446
HNO3	Nitric acid	3	A'	1407	1331	0.946	435	2447
		6	A'	691	647	0.936	435	2448
		9	A"	457	456	0.997	435	2449
PCl3	Phosphorus trichloride	2	A1	268	252	0.940	436	2450
H2O2	Hydrogen peroxide	3	A	951	877	0.922	437	2451
		6	B	1335	1266	0.949	437	2452
H2O	Water	3	B2	3994	3756	0.940	438	2453
HNO2	Nitrous acid	1	A'	3861	3591	0.930	439	2454
		4	A'	886	790	0.892	439	2455
PF3	Phosphorus trifluoride	2	A1	489	487	0.996	440	2456
SiF4	Silicon tetrafluoride	2	E	265	268	1.012	441	2457
AlH3	aluminum trihydride	2	A2"	733	698	0.952	442	2458
		4	E'	806	783	0.973	442	2459
HSO3F	Fluorosulfonic acid	3	A	1241	1243	1.002	443	2460
		11	A	374	390	1.041	443	2461
FNO	Nitrosyl fluoride	1	A'	1890	1844	0.976	444	2462
FNO3	Fluorine nitrate	7	A'	328	303	0.924	445	2463
ClF3	Chlorine trifluoride	2	A1	513	529	1.031	446	2464
		5	B2	705	702	0.996	446	2465
HOCl	hypochlorous acid	1	A'	3872	3609	0.932	447	2466
Cl2O	Dichlorine monoxide	1	A1	621	639	1.029	448	2467
SO2Cl2	Sulfuryl chloride	8	B2	1442	1434	0.995	449	2468
NH2OH	hydroxylamine	1	A'	3924	3650	0.930	450	2469
		4	A'	1445	1353	0.936	450	2470
		7	A"	3566	3359	0.942	450	2471
PH3	Phosphine	2	A1	1056	992	0.940	451	2472
SiH4	Silane	2	E	1000	975	0.975	452	2473
N2O	Nitrous oxide	3	Π	595	589	0.989	453	2474
S2Cl2	Disulfur dichloride	2	A	462	466	1.009	454	2475
		5	B	456	461	1.012	454	2476
SiHCl3	Trichlorosilane	2	A1	503	499	0.993	455	2477
Cl3PO	Phosphoryl chloride	1	A1	1338	1322	0.988	456	2478
		4	E	595	590	0.992	456	2479
PCl5	Phosphorus pentachloride	2	A1'	280	370	1.319	457	2480
		5	E'	572	592	1.036	457	2481
		8	E"	265	261	0.984	457	2482
OClO	Chlorine dioxide	3	B2	1014	1110	1.095	458	2483
BCl3	Borane, trichloro-	1	A1'	487	471	0.968	459	2484
BHCl2	Borane, dichloro-	1	A1	2729	2617	0.959	460	2485
SiF	silicon monofluoride	1	Σ	853	857	1.005	461	2486
MgS	magnesium sulfide	1	Σ	511	529	1.034	462	2487
SiN	Silicon nitride	1	Σ	1175	1151	0.980	463	2488
BS	boron sulfide	1	Σ	1183	1180	0.997	464	2489
Si2	Silicon diatomic	1	Σg	505	511	1.011	465	2490
		1	Σg	590	511	0.866	465	2491
ClNO2	Nitryl chloride	4	B1	683	652	0.954	466	2492
H2S2	HSSH	1	A	2737	2556	0.934	467	2493
		4	A	430	417	0.971	467	2494
SiH3Cl	chlorosilane	2	A1	1000	949	0.949	468	2495
		6	E	695	664	0.955	468	2496
F3PO	Phosphoryl fluoride	1	A1	1446	1417	0.980	469	2497
		4	E	985	991	1.006	469	2498
SiH3F	monofluorosilane	1	A1	2328	2206	0.948	470	2499
		4	E	2330	2196	0.942	470	2500
SiCl2	Dichlorosilylene	2	A1	214	201	0.937	471	2501
AlCl	Aluminum monochloride	1	Σ	491	482	0.982	472	2502
AlF	Aluminum monofluoride	1	Σ	816	802	0.983	473	2503
B2Cl4	Diboron tetrachloride	3	A1	178	176	0.987	474	2504
		6	B2	304	289	0.951	474	2505
		8	E	508	512	1.007	474	2506
SiH3	silyl	1	A1	2269	2136	0.941	475	2507
B2O2	Diboron dioxide	4	Πg	510	410	0.804	476	2508
NH	Imidogen	1	Σ	3271	3283	1.004	477	2509
		1	Σ	3271	3314	1.013	477	2510
		1	Σ	3341	3283	0.983	477	2511
		1	Σ	3341	3314	0.992	477	2512
N2F2	Dinitrogen difluoride, (E)-	6	Bu	443	423	0.956	478	2513
AlF2Cl	Aluminum chloride difluoride	4	B1	269	260	0.967	479	2514
HPO	HPO	2	A'	1198	1188	0.991	480	2515
SiH2	silicon dihydride	1	A1	2104	1996	0.949	481	2516
HOF	Hypofluorous acid	3	A'	926	886	0.957	482	2517
BH2	boron dihydride	2	A1	1032	954	0.924	483	2518
AlH2	aluminum dihydride	3	B2	1923	1807	0.939	484	2519
MgF	Magnesium monofluoride	1	Σ	722	712	0.986	485	2520
PCl	phosphorus chloride	1	Σ	518	577	1.113	486	2521
		1	Σ	539	577	1.071	486	2522
B2H6	Diborane	3	Ag	1223	1180	0.965	487	2523
		6	B1g	2704	2591	0.958	487	2524
		9	B1u	1009	973	0.964	487	2525
		12	B2u	2718	2612	0.961	487	2526
BCl	boron monochloride	1	Σ	860	840	0.977	488	2527
ClS2	Sulfur chloride	1	A'	599	662	1.104	489	2528
H2CO	Formaldehyde	1	A1	2945	2782	0.945	490	2529
		4	B1	1207	1167	0.967	490	2530
C3H4O2	β–Propiolactone	2	A'	3113	2935	0.943	491	2531
		5	A'	1485	1427	0.961	491	2532
		8	A'	1141	1093	0.958	491	2533
		11	A'	916	891	0.972	491	2534
		19	A"	811	790	0.974	491	2535
CH3CH2OH	Ethanol	4	A'	3012	2900	0.963	492	2536
		7	A'	1498	1412	0.942	492	2537
		10	A'	1143	1091	0.954	492	2538
		13	A'	423	417	0.986	492	2539
		16	A"	1502	1446	0.963	492	2540
HCOOH	Formic acid	8	A"	1077	1033	0.959	493	2541
CH3COOH	Acetic acid	2	A'	3193	3051	0.956	494	2542
		5	A'	1498	1430	0.955	494	2543
		8	A'	1250	1182	0.946	494	2544
		11	A'	595	657	1.104	494	2545
		14	A"	1500	1430	0.953	494	2546
CH3OH	Methyl alcohol	3	A'	3019	2844	0.942	495	2547
		6	A'	1416	1345	0.950	495	2548
		9	A"	3071	2960	0.964	495	2549
		12	A"	341	200	0.586	495	2550
CHCl3	Chloroform	1	A1	3218	3034	0.943	496	2551
		4	E	1294	1220	0.942	496	2552
C2H6O2S	Dimethyl sulfone	2	A1	3088	2936	0.951	497	2553
		5	A1	1153	1121	0.973	497	2554
		8	A1	487	496	1.019	497	2555
		11	A2	1464	1405	0.960	497	2556
		19	B1	366	396	1.081	497	2557
		22	B2	3085	2936	0.952	497	2558
		25	B2	976	958	0.982	497	2559
C6H6	Benzene	2	A1g	1015	992	0.977	498	2560
		10	B2u	1161	1150	0.991	498	2561
		12	E1u	3210	3063	0.954	498	2562
		15	E2g	3193	3047	0.954	498	2563
		18	E2g	615	606	0.985	498	2564
CH3CCl3	Ethane, 1,1,1-trichloro-	3	A1	1125	1075	0.955	499	2565
		6	A2	341	214	0.627	499	2566
		12	E	256	239	0.934	499	2567
CH4	Methane	4	T2	1367	1306	0.955	500	2568
C2H6	Ethane	3	A1g	1025	995	0.971	501	2569
		6	A2u	1428	1370	0.959	501	2570
		12	Eu	833	822	0.987	501	2571
C2H4	Ethylene	3	Ag	1381	1342	0.972	502	2572
		6	B1u	1487	1444	0.971	502	2573
		9	B2u	831	826	0.994	502	2574
		12	B3u	969	949	0.979	502	2575
C2H2	Acetylene	1	Σg	3536	3374	0.954	503	2576
CH3Cl	Methyl chloride	3	A1	764	732	0.958	504	2577
		5	E	1496	1455	0.973	504	2578
CH3NH2	methyl amine	2	A'	3092	2961	0.957	505	2579
		5	A'	1520	1473	0.969	505	2580
		8	A'	1085	1044	0.962	505	2581
		11	A"	3130	2985	0.954	505	2582
		14	A"	990	1195	1.207	505	2583
CH3SH	Methanethiol	1	A'	3167	3000	0.947	506	2584
		4	A'	1504	1475	0.981	506	2585
		7	A'	826	803	0.972	506	2586
		10	A"	1486	1430	0.962	506	2587
C3H8	Propane	2	A1	3050	2962	0.971	507	2588
		13	A2	922	940	1.020	507	2589
		16	B1	3079	2968	0.964	507	2590
		19	B1	761	748	0.983	507	2591
		22	B2	3041	2887	0.949	507	2592
		25	B2	1391	1338	0.962	507	2593
CH3CH2Cl	Ethyl chloride	1	A'	3137	2967	0.946	508	2594
		4	A'	1519	1463	0.963	508	2595
		7	A'	1372	1289	0.940	508	2596
		15	A"	1304	1251	0.959	508	2597
		18	A"	286	251	0.879	508	2598
CH2CHCl	Ethene, chloro-	4	A'	1677	1608	0.959	509	2599
		7	A'	1057	1030	0.974	509	2600
		10	A"	979	941	0.961	509	2601
CH2CHF	Ethene, fluoro-	2	A'	3236	3080	0.952	510	2602
		5	A'	1434	1380	0.963	510	2603
CH3CH2NH2	Ethylamine	2	A'	3115	2985	0.958	511	2604
		5	A'	1674	1622	0.969	511	2605
		8	A'	1439	1378	0.958	511	2606
		16	A"	3120	2924	0.937	511	2607
		19	A"	1416	1238	0.874	511	2608
		22	A"	791	816	1.031	511	2609
CH3CN	Acetonitrile	5	E	3167	3009	0.950	512	2610
		8	E	374	362	0.968	512	2611
CH3CHO	Acetaldehyde	2	A'	3053	2923	0.957	513	2612
		10	A'	511	509	0.996	513	2613
		13	A"	1146	1102	0.961	513	2614
CH3CH2SH	ethanethiol	3	A'	3058	2872	0.939	514	2615
		6	A'	1512	1453	0.961	514	2616
		9	A'	1139	1097	0.963	514	2617
		12	A'	703	660	0.938	514	2618
CH2Cl2	Methylene chloride	4	A1	299	282	0.944	515	2619
		7	B1	924	898	0.972	515	2620
CH2F2	Methane, difluoro-	3	A1	1149	1111	0.967	516	2621
HNCO	Isocyanic acid	3	A'	1324	1327	1.002	517	2622
		6	A"	635	656	1.033	517	2623
CH3SCH3	Dimethyl sulfide	3	A1	1508	1444	0.957	518	2624
		6	A1	725	695	0.959	518	2625
		9	A2	1472	1420	0.965	518	2626
		12	B1	3134	2970	0.948	518	2627
		20	B2	936	903	0.965	518	2628
C3H6	Cyclopropane	1	A1'	3166	3038	0.959	519	2629
		10	E'	1099	1029	0.936	519	2630
		13	E"	1237	1188	0.960	519	2631
C2H4O	Ethylene oxide	1	A1	3131	3006	0.960	520	2632
		4	A1	1187	1120	0.943	520	2633
		7	A2	1192	1300	1.090	520	2634
		10	B1	1194	1142	0.956	520	2635
		13	B2	1532	1472	0.961	520	2636
CH3CH(CH3)CH3	Isobutane	3	A1	3037	2880	0.948	521	2637
		6	A1	1236	1177	0.952	521	2638
		9	A2	3114	2962	0.951	521	2639
		15	E	3035	2894	0.954	521	2640
		18	E	1432	1371	0.958	521	2641
		21	E	1000	966	0.966	521	2642
CH3CHClCH3	Propane, 2-chloro-	6	A'	1516	1454	0.959	522	2643
		9	A'	1213	1163	0.959	522	2644
		12	A'	662	633	0.956	522	2645
		15	A'	290	253	0.873	522	2646
		18	A"	3053	2947	0.965	522	2647
		26	A"	333	317	0.953	522	2648
CH2CCl2	Ethene, 1,1-dichloro-	3	A1	1430	1400	0.979	523	2649
		6	A2	700	686	0.980	523	2650
		9	B2	3293	3130	0.950	523	2651
CH3COCl	Acetyl Chloride	1	A'	3185	3027	0.950	524	2652
		4	A'	1486	1415	0.952	524	2653
		7	A'	985	956	0.970	524	2654
		15	A"	162	166	1.024	524	2655
CH3CHF2	Ethane, 1,1-difluoro-	4	A'	1508	1457	0.966	525	2656
		7	A'	1190	1171	0.984	525	2657
		10	A'	578	569	0.984	525	2658
		13	A"	1509			525	2659
		16	A"	987	942	0.954	525	2660
CH2CF2	Ethene, 1,1-difluoro-	1	A1	3224	3070	0.952	526	2661
		9	B2	3331	3154	0.947	526	2662
		12	B2	439	438	0.998	526	2663
CCl2O	Phosgene	2	A1	584	567	0.970	527	2664
CHF3	Methane, trifluoro-	1	A1	3196	3036	0.950	528	2665
		4	E	1453	1372	0.944	528	2666
CFCl3	Trichloromonofluoromethane	4	E	889	847	0.952	529	2667
CF2Cl2	difluorodichloromethane	1	A1	1159	1101	0.950	530	2668
		4	A1	277	262	0.947	530	2669
		7	B1	450	437	0.971	530	2670
CF3Cl	Methane, chlorotrifluoro-	4	E	1283	1212	0.945	531	2671
CF4	Carbon tetrafluoride	2	E	445	435	0.978	532	2672
C2F6	hexafluoroethane	9	Eg	388	380	0.978	533	2673
		12	Eu	221	216	0.978	533	2674
C5H8	1,3-Butadiene, 2-methyl-	2	A'	3245	3095	0.954	534	2675
		10	A'	1525	1464	0.960	534	2676
		13	A'	1431	1363	0.953	534	2677
		16	A'	1097	1072	0.977	534	2678
		19	A'	798	770	0.965	534	2679
		22	A'	282	196	0.696	534	2680
		30	A"	633	615	0.972	534	2681
CHOCH(CH3)CH3	Propanal, 2-methyl-	2	A'	3124	2953	0.945	535	2682
		5	A'	2900	2757	0.951	535	2683
		8	A'	1527	1449	0.949	535	2684
		19	A'	240	212	0.884	535	2685
		22	A"	3044	2885	0.948	535	2686
		25	A"	1427	1437	1.007	535	2687
		28	A"	1006	965	0.960	535	2688
		31	A"	331	351	1.062	535	2689
CH2ClCHClCH3	Propane, 1,2-dichloro-	8	A	1513	1459	0.964	536	2690
		11	A	1410	1347	0.955	536	2691
		14	A	1262	1181	0.936	536	2692
		17	A	1061	1023	0.964	536	2693
		20	A	792	750	0.947	536	2694
CHClCCl2	Trichloroethylene	1	A'	3260	3082	0.946	537	2695
		9	A'	179	178	0.996	537	2696
		12	A"	206	215	1.043	537	2697
CH3COOCH3	methyl acetate	3	A'	3079	2966	0.963	538	2698
		6	A'	1528	1460	0.955	538	2699
		14	A'	882	844	0.957	538	2700
		17	A'	296	303	1.023	538	2701
		20	A"	1510	1460	0.967	538	2702
		23	A"	1081	1036	0.958	538	2703
		26	A"	160	136	0.852	538	2704
C6H5CHO	benzaldehyde	7	A'	1800	1728	0.960	539	2705
		10	A'	1539	1492	0.969	539	2706
		13	A'	1347	1314	0.976	539	2707
		16	A'	1196	1168	0.976	539	2708
		19	A'	1049	1026	0.978	539	2709
		30	A"	857	852	0.994	539	2710
		33	A"	443	450	1.015	539	2711
		36	A"	115	111	0.968	539	2712
CH3CH2CH2CH3	Butane	8	Ag	1190	1151	0.967	540	2713
		11	Ag	428	425	0.992	540	2714
		14	Au	1522	1461	0.960	540	2715
		17	Au	744	731	0.982	540	2716
		20	Bg	3114	2965	0.952	540	2717
		28	Bu	3043	2870	0.943	540	2718
		31	Bu	1514	1461	0.965	540	2719
		34	Bu	1046	1009	0.965	540	2720
CH2CHCHCH2	1,3-Butadiene	1	Ag	3250	3087	0.950	541	2721
		4	Ag	1731	1630	0.942	541	2722
		7	Ag	1233	1196	0.970	541	2723
		10	Au	1039	1013	0.975	541	2724
		13	Au	151	162	1.074	541	2725
		21	Bu	1426	1381	0.969	541	2726
		24	Bu	295	301	1.020	541	2727
CHCCH2CH3	1-Butyne	8	A'	1440	1385	0.962	542	2728
		11	A'	1046	1008	0.964	542	2729
		14	A'	512	509	0.995	542	2730
		17	A"	3100	2939	0.948	542	2731
		20	A"	1129	1090	0.965	542	2732
CH2ClCH2Cl	Ethane, 1,2-dichloro-	3	Ag	1403	1304	0.929	543	2733
		6	Ag	312	300	0.961	543	2734
		14	Bu	3130	2983	0.953	543	2735
		17	Bu	769	728	0.947	543	2736
C3H3N	acrylonitrile	3	A'	3178	3042	0.957	544	2737
		6	A'	1457	1416	0.972	544	2738
		9	A'	878	869	0.990	544	2739
C3H6O	2-Propen-1-ol	5	A	3049	2934	0.962	545	2740
		8	A	1540	1453	0.944	545	2741
		11	A	1318	1320	1.001	545	2742
		14	A	1183	1132	0.957	545	2743
		17	A	978	995	1.017	545	2744
		20	A	654	606	0.926	545	2745
C2H2O2	Ethanedial	9	Bu	2996	2835	0.946	546	2746
		12	Bu	336	339	1.008	546	2747
CH3OCHO	methyl formate	1	A'	3194	3045	0.953	547	2748
		4	A'	1836	1754	0.955	547	2749
		12	A'	319	318	0.996	547	2750
		15	A"	1204	1168	0.970	547	2751
		18	A"	164	130	0.794	547	2752
C6H5Cl	chlorobenzene	6	A1	1205	1174	0.975	548	2753
		9	A1	1008	1003	0.995	548	2754
		12	A2	938	961	1.024	548	2755
		15	B1	926	981	1.059	548	2756
		18	B1	495	685	1.382	548	2757
		21	B2	3227	3098	0.960	548	2758
		29	B2	624	615	0.985	548	2759
C5H12	Pentane	2	A1	3044	2892	0.950	549	2760
		5	A1	1534	1480	0.965	549	2761
		8	A1	1442	1379	0.957	549	2762
		11	A1	1075	1036	0.964	549	2763
		14	A1	177	179	1.011	549	2764
		22	A2	252	210	0.833	549	2765
		25	B1	3086	2930	0.949	549	2766
		28	B1	1344	1303	0.970	549	2767
		31	B1	738	727	0.985	549	2768
		34	B2	3120	2965	0.950	549	2769
		42	B2	1106	1073	0.970	549	2770
		45	B2	398	406	1.021	549	2771
CH3CH2CH2CN	Butanenitrile	3	A'	3068	2888	0.941	550	2772
		6	A'	1531	1472	0.962	550	2773
		9	A'	1446	1393	0.964	550	2774
		17	A'	348	358	1.029	550	2775
		20	A"	3117	2964	0.951	550	2776
		23	A"	1348	1267	0.940	550	2777
		26	A"	888	871	0.981	550	2778
		29	A"	241			550	2779
C3H2N2	Malononitrile	3	A1	1483	1395	0.941	551	2780
		6	A1	147	167	1.135	551	2781
		9	B1	3141	2968	0.945	551	2782
		12	B2	2348	2275	0.969	551	2783
		15	B2	366	366	0.999	551	2784
C4H5N	Pyrrole	3	A1	3266	3128	0.958	552	2785
		6	A1	1182	1148	0.972	552	2786
		9	A1	900	882	0.979	552	2787
		12	A2	597	614	1.029	552	2788
		15	B1	632	621	0.982	552	2789
C4H8O	Furan, tetrahydro-	5	A	1565	1488	0.951	553	2790
		8	A	1376	1308	0.951	553	2791
		11	A	1193	1142	0.957	553	2792
		14	A	943	895	0.949	553	2793
		17	A	274	286	1.045	553	2794
		25	B	1338	1292	0.966	553	2795
		28	B	1152	1070	0.929	553	2796
		31	B	905	865	0.955	553	2797
C4H4O	Furan	3	A1	1548	1491	0.963	554	2798
		6	A1	1099	1066	0.970	554	2799
		9	A2	828	838	1.012	554	2800
		12	B1	848	863	1.018	554	2801
		20	B2	1073	1040	0.969	554	2802
C4H4S	Thiophene	4	A1	1422	1360	0.957	555	2803
		7	A1	856	872	1.018	555	2804
		10	A2	684	688	1.006	555	2805
		13	B1	718	712	0.992	555	2806
		16	B2	3228	3086	0.956	555	2807
C4H4N2	Succinonitrile	5	Ag	1063	1023	0.963	556	2808
		8	Ag	224	187	0.837	556	2809
		11	Au	777	760	0.978	556	2810
		14	Bg	3135	2982	0.951	556	2811
		17	Bg	356	387	1.087	556	2812
C5H5N	Pyridine	3	A1	3185	3030	0.951	557	2813
		11	A2	986	980	0.994	557	2814
		14	B1	970	1007	1.038	557	2815
		17	B1	695	700	1.008	557	2816
		20	B2	3184	3042	0.955	557	2817
		23	B2	1392	1362	0.978	557	2818
		26	B2	1084	1079	0.996	557	2819
C3H6O3	1,3,5-Trioxane	1	A1	3188	3020	0.947	558	2820
		4	A1	1276	1168	0.915	558	2821
		7	A1	486	476	0.979	558	2822
		10	A2	1047			558	2823
		16	E	1234	1168	0.947	558	2824
		19	E	538	524	0.974	558	2825
C5H11N	Piperidine	8	A'	1534	1476	0.962	559	2826
		11	A'	1456	1386	0.952	559	2827
		14	A'	1307	1266	0.968	559	2828
		17	A'	1071	1006	0.939	559	2829
		20	A'	842	822	0.976	559	2830
		28	A"	3052	2850	0.934	559	2831
		31	A"	1504	1460	0.971	559	2832
		34	A"	1389	1318	0.949	559	2833
		37	A"	1203	1191	0.990	559	2834
		40	A"	1085	1052	0.970	559	2835
CH2CHCH3	Propene	1	A'	3241	3090	0.953	560	2836
		4	A'	3127	2954	0.945	560	2837
		7	A'	1518	1470	0.969	560	2838
		10	A'	1329	1297	0.976	560	2839
		13	A'	938	920	0.981	560	2840
		21	A"	195	174	0.894	560	2841
CH3OCH3	Dimethyl ether	2	A1	3006	2817	0.937	561	2842
		5	A1	1296	1244	0.960	561	2843
		8	A2	3050	2952	0.968	561	2844
		11	A2	200	203	1.013	561	2845
CH2C(CH3)CH3	1-Propene, 2-methyl-	1	A1	3155	2989	0.947	562	2846
		4	A1	1736	1661	0.957	562	2847
		12	A2	1494	1459	0.977	562	2848
		15	A2	150	193	1.285	562	2849
		18	B1	1118	1079	0.965	562	2850
		21	B1	200	196	0.980	562	2851
		24	B2	3037	2893	0.953	562	2852
C2F4	Tetrafluoroethylene	2	Ag	801	778	0.972	563	2853
		5	B1u	1212	1186	0.978	563	2854
		8	B2u	1384	1337	0.966	563	2855
		11	B3g	560	551	0.984	563	2856
CH3CH2CHO	Propanal	3	A'	3045	2895	0.951	564	2857
		6	A'	1522	1460	0.959	564	2858
		14	A'	676	668	0.988	564	2859
		17	A"	3078	2942	0.956	564	2860
		20	A"	1164	1118	0.960	564	2861
		23	A"	246	220	0.895	564	2862
C4H9N	Pyrrolidine	2	A'	3140	2975	0.948	565	2863
		5	A'	2970	2824	0.951	565	2864
		8	A'	1428	1292	0.905	565	2865
		11	A'	1249	1181	0.945	565	2866
		19	A'	306	299	0.976	565	2867
		22	A"	3077	2879	0.936	565	2868
		25	A"	1506	1412	0.938	565	2869
		28	A"	1320	1211	0.918	565	2870
		31	A"	1155	1099	0.952	565	2871
C4H8O2	1,4-Dioxane	1	Ag	3122	2968	0.951	566	2872
		4	Ag	1464	1397	0.954	566	2873
		7	Ag	1059	1015	0.959	566	2874
		15	Au	1303	1256	0.964	566	2875
		18	Au	912	881	0.966	566	2876
		21	Bg	3018	2856	0.946	566	2877
		24	Bg	1261	1217	0.965	566	2878
		27	Bg	466	490	1.051	566	2879
		35	Bu	618	610	0.987	566	2880
CO2	Carbon dioxide	1	Σg	1374	1333	0.970	567	2881
C2Cl4	Tetrachloroethylene	6	B1u	330	310	0.941	568	2882
		9	B2u	188	176	0.938	568	2883
		12	B3u	300	288	0.960	568	2884
C5H8	Cyclopentene	1	A'	3223	3066	0.951	569	2885
		4	A'	3067	2902	0.946	569	2886
		12	A'	1084	1048	0.967	569	2887
		15	A'	844	904	1.071	569	2888
		18	A'	174	254	1.460	569	2889
		21	A"	3039	2927	0.963	569	2890
		24	A"	1355	1356	1.001	569	2891
		32	A"	779	702	0.901	569	2892
C2H5N	Aziridine	6	A'	1268	1211	0.955	570	2893
		9	A'	898	856	0.953	570	2894
		12	A"	3139	3015	0.961	570	2895
		15	A"	1178	1131	0.960	570	2896
		18	A"	885	817	0.923	570	2897
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1	A1	3256	3077	0.945	571	2898
		4	A1	736	711	0.967	571	2899
		7	A2	409	406	0.993	571	2900
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	3	Ag	1331	1274	0.957	572	2901
		6	Au	943	900	0.955	572	2902
		9	Bu	3248	3090	0.951	572	2903
		12	Bu	242	250	1.032	572	2904
C4H6	Bicyclo[1.1.0]butane	1	A1	3283	3131	0.954	573	2905
		4	A1	1557	1501	0.964	573	2906
		12	A2	940	909	0.967	573	2907
		15	B1	1191	1110	0.932	573	2908
		18	B1	767	737	0.961	573	2909
		21	B2	1519	1485	0.977	573	2910
		24	B2	961	935	0.973	573	2911
C5H8	Spiropentane	1	A1	3145	3000	0.954	574	2912
		4	A1	1073	1037	0.966	574	2913
		7	A2	1190	1174	0.987	574	2914
		10	B1	1201	1166	0.971	574	2915
		13	B2	3146	3000	0.954	574	2916
		21	E	1211	1150	0.950	574	2917
		24	E	801	780	0.974	574	2918
C8H8	cubane	2	A1g	1033	1002	0.970	575	2919
		5	Eg	1139	1083	0.951	575	2920
		9	T1g	1160	1130	0.974	575	2921
		10	T1u	3142	2978	0.948	575	2922
		11	T1u	1283	1230	0.959	575	2923
		12	T1u	875	853	0.975	575	2924
		13	T2g	3134	2970	0.948	575	2925
C4H8	cyclobutane	2	A1	3078	2862	0.930	576	2926
		5	A1	1043	1004	0.963	576	2927
		13	B2	3071	2934	0.955	576	2928
		16	B2	634	625	0.986	576	2929
		18	E	3072	2862	0.932	576	2930
		21	E	1268	1217	0.960	576	2931
C3H6S	Thietane	6	A'	1506	1452	0.964	577	2932
		9	A'	1028	975	0.948	577	2933
		12	A'	722	700	0.970	577	2934
		15	A"	3156	2994	0.949	577	2935
		18	A"	1336	1281	0.959	577	2936
		21	A"	1065	1011	0.949	577	2937
C3H4N2	1H-Pyrazole	3	A'	3278	3137	0.957	578	2938
		6	A'	1517	1447	0.954	578	2939
		9	A'	1301	1254	0.964	578	2940
		12	A'	1065	1054	0.989	578	2941
		15	A'	925	908	0.981	578	2942
C3H3NO	Isoxazole	1	A'	3315	3140	0.947	579	2943
		4	A'	1630	1653	1.014	579	2944
		7	A'	1265	1373	1.085	579	2945
		10	A'	1052	1089	1.035	579	2946
		18	A"	599	595	0.994	579	2947
C3H4N2	1H-Imidazole	2	A'	3300	3143	0.952	580	2948
		5	A'	1588	1448	0.912	580	2949
		13	A'	1090	988	0.907	580	2950
		16	A"	858	831	0.968	580	2951
		19	A"	677	663	0.979	580	2952
C3H3NO	Oxazole	8	A'	1198	1139	0.951	581	2953
		11	A'	1089	1046	0.960	581	2954
		14	A"	880	907	1.031	581	2955
		17	A"	657	647	0.985	581	2956
C2H3N3	1H-1,2,4-Triazole	1	A'	3717			582	2957
		4	A'	1591	1540	0.968	582	2958
		7	A'	1339	1390	1.038	582	2959
		15	A"	874	885	1.012	582	2960
		18	A"	523	640	1.225	582	2961
CH2N4	1H-Tetrazole	6	A'	1294	1159	0.896	583	2962
		9	A'	1070	1002	0.936	583	2963
		12	A"	888	906	1.020	583	2964
		15	A"	562	578	1.029	583	2965
C4H4N2	Pyridazine	4	A1	1491	1414	0.948	584	2966
		7	A1	1092	1063	0.973	584	2967
		10	A2	970	936	0.965	584	2968
		13	A2	357	421	1.180	584	2969
		16	B1	376	370	0.983	584	2970
		24	B2	628	664	1.057	584	2971
C4H4N2	1,3-Diazine	2	A1	3206	3053	0.952	585	2972
		5	A1	1447	1465	1.013	585	2973
		8	A1	1017	969	0.953	585	2974
		16	B1	348	347	0.996	585	2975
		19	B2	1511	1411	0.934	585	2976
		22	B2	1150	1158	1.007	585	2977
C4H4N2	Pyrazine	3	Ag	1266	1233	0.974	586	2978
		11	B1u	1173	1130	0.964	586	2979
		14	B2g	757	756	0.999	586	2980
		17	B2u	1123	1149	1.024	586	2981
		20	B3g	1600	1525	0.953	586	2982
		23	B3u	809	785	0.971	586	2983
C3H3N3	1,3,5-Triazine	6	A2"	950	925	0.974	587	2984
		10	E'	1456	1410	0.969	587	2985
		13	E"	1047	830	0.793	587	2986
N2H4	Hydrazine	5	A	1153	1076	0.933	588	2987
		8	B	3606	3350	0.929	588	2988
		11	B	1337	1275	0.954	588	2989
C2H5SC2H5	Diethyl sulfide	3	A1	3056	2853	0.933	589	2990
		11	A1	339	334	0.986	589	2991
		14	A2	3107	2930	0.943	589	2992
		17	A2	1067			589	2993
		20	A2	57			589	2994
		23	B1	1512	1450	0.959	589	2995
		26	B1	818	780	0.954	589	2996
		34	B2	1441	1380	0.958	589	2997
		37	B2	1019	974	0.956	589	2998
CF2O	Carbonic difluoride	3	A1	592	584	0.987	590	2999
		6	B2	634	626	0.988	590	3000
CF3CN	Acetonitrile, trifluoro-	1	A1	2354	2275	0.966	591	3001
		7	E	479	463	0.968	591	3002
C2H4S	Thiirane	12	B2	3154	3013	0.955	592	3003
CH3CF3	Ethane, 1,1,1-trifluoro-	4	A1	851	828	0.973	593	3004
		7	E	3186	3042	0.955	593	3005
		10	E	1006	964	0.959	593	3006
C4H2	Diacetylene	3	Σg	889	874	0.983	594	3007
		6	Πg	651	627	0.963	594	3008
CH2CCH2	allene	3	A1	1092	1073	0.983	595	3009
		6	B2	2045	1957	0.957	595	3010
		11	E	356	355	0.996	595	3011
CH2CO	Ketene	6	B1	537	528	0.983	596	3012
		9	B2	448	433	0.967	596	3013
C5H12	Propane, 2,2-dimethyl-	1	A1	3042	2909	0.956	597	3014
		4	A2	182	198	1.088	597	3015
		6	E	1510	1451	0.961	597	3016
		9	T1	3105	2975	0.958	597	3017
C6H6	Fulvene	3	A1	3160	3008	0.952	598	3018
		14	A2	681	666	0.978	598	3019
		17	B1	907	907	1.000	598	3020
		20	B1	189			598	3021
		23	B2	3223	3075	0.954	598	3022
		26	B2	1267	1232	0.972	598	3023
CH3CCCH3	2-Butyne	10	E'	1512	1456	0.963	599	3024
		13	E"	3129	2966	0.948	599	3025
		16	E"	307	371	1.208	599	3026
ClCN	chlorocyanogen	3	Π	373	378	1.014	600	3027
C5H10	2-Butene, 2-methyl-	1	A'	3164	3024	0.956	601	3028
		9	A'	1523	1471	0.966	601	3029
C5H6	1,3-Cyclopentadiene	1	A1	3250	3091	0.951	602	3030
		4	A1	1589	1500	0.944	602	3031
		7	A1	1136	1106	0.973	602	3032
		10	A1	809	802	0.991	602	3033
		18	B1	675	664	0.983	602	3034
		21	B2	3216	3043	0.946	602	3035
		24	B2	1294	1239	0.958	602	3036
		27	B2	813	805	0.990	602	3037
CH3COF	Acetyl fluoride	2	A'	3083	2955	0.958	603	3038
		5	A'	1434	1378	0.961	603	3039
		8	A'	863	826	0.957	603	3040
		11	A"	3158	3004	0.951	603	3041
		14	A"	578	567	0.981	603	3042
CH2CHCHClCH3	1-Butene, 3-chloro-	1	A	3250	3088	0.950	604	3043
		4	A	3151	2990	0.949	604	3044
		7	A	3058	2927	0.957	604	3045
		18	A	1068	1025	0.959	604	3046
		21	A	940	931	0.991	604	3047
		24	A	656	625	0.952	604	3048
		27	A	310	305	0.985	604	3049
		30	A	99	92	0.928	604	3050
CH3CHCHCH3	2-Butene, (Z)-	2	A1	3154	2965	0.940	605	3051
		5	A1	1522	1448	0.952	605	3052
		13	A2	1066	1037	0.973	605	3053
		19	B1	1080	986	0.913	605	3054
		22	B2	3151	3033	0.962	605	3055
		25	B2	1514	1448	0.957	605	3056
CH2CCHCH3	1,2-Butadiene	7	A'	1495	1437	0.961	606	3057
		10	A'	1156	1132	0.980	606	3058
		13	A'	868	859	0.989	606	3059
		16	A"	3234	3061	0.946	606	3060
		19	A"	1075	1110	1.032	606	3061
C6H10	1,5-Hexadiene	1	Ag	3250	3082	0.948	607	3062
		4	Ag	3036	2846	0.938	607	3063
		7	Ag	1472	1416	0.962	607	3064
		15	Au	3081	2905	0.943	607	3065
		18	Au	910	912	1.002	607	3066
		24	Bg	1333	1280	0.960	607	3067
		27	Bg	908	913	1.005	607	3068
		35	Bu	1511	1445	0.956	607	3069
		38	Bu	1324	1246	0.941	607	3070
		41	Bu	515	552	1.071	607	3071
CH3F	Methyl fluoride	6	E	1222	1182	0.967	608	3072
CH3PH2	Methyl phosphine	3	A'	2447	2297	0.939	609	3073
		6	A'	1142	1086	0.951	609	3074
		9	A'	702	677	0.964	609	3075
C5H8	1,2-Butadiene, 3-methyl-	8	A1	1328	1286	0.969	610	3076
		11	A1	339	349	1.029	610	3077
		14	A2	1015	985	0.970	610	3078
		17	B1	3226	3051	0.946	610	3079
		20	B1	1113	1068	0.959	610	3080
		23	B1	257	187	0.728	610	3081
		31	B2	872	848	0.972	610	3082
CH3NO3	Methyl nitrate	2	A'	3087	2941	0.953	611	3083
		5	A'	1497	1430	0.955	611	3084
		8	A'	1088	1017	0.935	611	3085
		11	A'	603	578	0.958	611	3086
		14	A"	1499	1455	0.971	611	3087
		17	A"	234			611	3088
C5H6S	Thiophene, 3-methyl-	3	A'	3221	3062	0.950	612	3089
		6	A'	1632	1543	0.945	612	3090
		9	A'	1444	1385	0.959	612	3091
		20	A'	316	329	1.041	612	3092
		23	A"	1071	1036	0.967	612	3093
		26	A"	682	685	1.005	612	3094
		29	A"	228	238	1.045	612	3095
CH3CHCHCH3	2-Butene, (E)-	2	Ag	3125	2954	0.945	613	3096
		10	Ag	503	501	0.996	613	3097
		13	Au	1083	1057	0.976	613	3098
		19	Bg	1072	1039	0.970	613	3099
		22	Bu	3152	3021	0.959	613	3100
		30	Bu	282	261	0.926	613	3101
CH3SCH2CH3	Ethane, (methylthio)-	6	A'	1524	1461	0.959	614	3102
		9	A'	1442	1377	0.955	614	3103
		12	A'	1113	1060	0.952	614	3104
		15	A'	762	727	0.954	614	3105
		18	A'	204	227	1.114	614	3106
		26	A"	999	954	0.955	614	3107
		29	A"	159			614	3108
CH3ONO	Methyl nitrite	1	A'	3201	3037	0.949	615	3109
		4	A'	1521	1454	0.956	615	3110
		7	A'	1065	991	0.930	615	3111
		10	A'	374	346	0.925	615	3112
CH3SSCH3	Disulfide, dimethyl	2	A	3154	2983	0.946	616	3113
		5	A	1479	1419	0.960	616	3114
		13	A	101	117	1.161	616	3115
		16	B	3068	2915	0.950	616	3116
		19	B	1404	1303	0.928	616	3117
		22	B	734	691	0.941	616	3118
C3H7N	Cyclopropylamine	2	A'	3259	3100	0.951	617	3119
		5	A'	1669	1617	0.969	617	3120
		13	A'	836	805	0.963	617	3121
		16	A"	3602	3412	0.947	617	3122
		19	A"	1479	1424	0.963	617	3123
		22	A"	1159	1026	0.885	617	3124
		25	A"	862	830	0.963	617	3125
C6H8	1,3,5-Hexatriene, (E)-	8	Ag	1336	1288	0.964	618	3126
		11	Ag	947	934	0.986	618	3127
		14	Au	1038	1013	0.976	618	3128
		17	Au	688	683	0.993	618	3129
		20	Bg	1010	988	0.978	618	3130
		23	Bg	600			618	3131
		31	Bu	1330	1295	0.974	618	3132
		34	Bu	979	963	0.984	618	3133
C4H6	Cyclobutene	1	A1	3228	3060	0.948	619	3134
		4	A1	1519	1450	0.955	619	3135
		7	A1	1012	1113	1.100	619	3136
		10	A2	1186	1276	1.076	619	3137
		13	A2	290	325	1.119	619	3138
		24	B2	859	740	0.861	619	3139
H2CS	Thioformaldehyde	2	A1	1535	1456	0.948	620	3140
		5	B2	3190	3025	0.948	620	3141
C4N2	2-Butynedinitrile	2	Σg	2196	2119	0.965	621	3142
		5	Σu	1151	1154	1.003	621	3143
		7	Πg	280	263	0.941	621	3144
MgO	magnesium oxide	1	Σ	707	785	1.111	622	3145
LiOH	lithium hydroxide	2	Σ	993	871	0.877	623	3146
NaOH	sodium hydroxide	3	Π	226	300	1.326	624	3147
CH3C(SCH3)HCH3	Propane, 2-(methylthio)-	7	A	3062	2918	0.953	625	3148
		10	A	3046	2867	0.941	625	3149
		13	A	1510	1448	0.959	625	3150
		16	A	1479	1448	0.979	625	3151
		19	A	1403	1339	0.955	625	3152
		27	A	983			625	3153
		30	A	757	724	0.957	625	3154
		33	A	356	336	0.944	625	3155
		36	A	234			625	3156
		39	A	58			625	3157
C5H8	1,3-Pentadiene, (Z)-	1	A'	3249	3060	0.942	626	3158
		4	A'	3157	2998	0.950	626	3159
		7	A'	3049	2919	0.957	626	3160
		15	A'	1293	1254	0.969	626	3161
		18	A'	973	964	0.991	626	3162
		21	A'	388	402	1.036	626	3163
		24	A"	1504	1471	0.978	626	3164
		27	A"	966	921	0.953	626	3165
Si2H6	disilane	3	A1g	444	434	0.978	627	3166
		6	A2u	891	844	0.947	627	3167
		8	Eg	969	929	0.959	627	3168
		11	Eu	985	940	0.954	627	3169
CCl2	dichloromethylene	3	B2	775	758	0.978	628	3170
C5H10S	2H-Thiopyran, tetrahydro-	5	A'	3046	2878	0.945	629	3171
		8	A'	1504	1440	0.957	629	3172
		11	A'	1377	1299	0.944	629	3173
		14	A'	1111	1061	0.955	629	3174
		17	A'	847	826	0.975	629	3175
		25	A"	3092	2929	0.947	629	3176
		28	A"	1500	1433	0.956	629	3177
		31	A"	1396	1313	0.940	629	3178
		34	A"	1193	1141	0.956	629	3179
		37	A"	965	929	0.963	629	3180
C3H5	Allyl radical	10	B1	990	968	0.978	630	3181
		13	B2	3264	3105	0.951	630	3182
		16	B2	1425	1389	0.975	630	3183
C5H8	1,3-Pentadiene, (E)-	5	A'	3151	3015	0.957	631	3184
		8	A'	1750	1661	0.949	631	3185
		11	A'	1467	1422	0.969	631	3186
		14	A'	1327	1299	0.979	631	3187
		17	A'	1112	1037	0.932	631	3188
		28	A"	900	899	0.999	631	3189
		31	A"	246	361	1.470	631	3190
CH2NH	Methanimine	4	A'	1706	1638	0.960	632	3191
		7	A'	1089	1058	0.971	632	3192
CF2	Difluoromethylene	2	A1	680	667	0.980	633	3193
		2	A1	523	667	1.275	633	3194
CF3	Trifluoromethyl radical	3	E	1315	1260	0.958	634	3195
C4H9N	Cyclobutylamine	1	A'	3509	3345	0.953	635	3196
		4	A'	3095	2918	0.943	635	3197
		7	A'	1666	1614	0.969	635	3198
		10	A'	1415	1390	0.982	635	3199
		18	A'	854	752	0.880	635	3200
		21	A'	203	174	0.859	635	3201
		24	A"	3070	2957	0.963	635	3202
		27	A"	1304	1185	0.909	635	3203
		30	A"	1177			635	3204
		33	A"	938	883	0.941	635	3205
SF6	Sulfur Hexafluoride	2	Eg	639	642	1.004	636	3206
HCO	Formyl radical	3	A'	1148	1081	0.941	637	3207
ClNO	Nitrosyl chloride	1	A'	1877	1800	0.959	638	3208
C3H4	cyclopropene	3	A1	1712	1653	0.965	639	3209
		6	A1	941	905	0.962	639	3210
		9	B1	3146	2995	0.952	639	3211
		12	B2	3283	3124	0.951	639	3212
		15	B2	809	769	0.950	639	3213
NF2	Difluoroamino radical	3	B2	1009	942	0.934	640	3214
CF	Fluoromethylidyne	1	Σ	1315	1308	0.995	641	3215
SiH2Cl2	dichlorosilane	3	A1	535	527	0.986	642	3216
		6	B1	2369	2237	0.944	642	3217
		9	B2	598	590	0.986	642	3218
CHOCHCHCH3	2-Butenal	9	A'	1442	1391	0.965	643	3219
		12	A'	1287	1253	0.974	643	3220
		15	A'	953	973	1.021	643	3221
		18	A'	206	230	1.118	643	3222
		21	A"	1081	1042	0.964	643	3223
C4H5N	Cyclopropanecarbonitrile	2	A'	3212	3052	0.950	644	3224
		10	A'	977	941	0.963	644	3225
		13	A'	526	527	1.001	644	3226
		16	A"	3168	3040	0.960	644	3227
		19	A"	1143	1070	0.936	644	3228
		22	A"	849	821	0.967	644	3229
C4H6	Methylenecyclopropane	3	A1	1852	1743	0.941	645	3230
		6	A1	1078	1036	0.961	645	3231
		9	A2	3217	3051	0.948	645	3232
		12	A2	626	616	0.984	645	3233
		15	B1	894	889	0.995	645	3234
		23	B2	919	792	0.862	645	3235
C5H12S	Propane, 2-methyl-2-(methylthio)-	5	A'	3068	2924	0.953	646	3236
		8	A'	1535	1460	0.951	646	3237
		11	A'	1504	1435	0.954	646	3238
		14	A'	1400	1318	0.942	646	3239
		17	A'	1071	1026	0.958	646	3240
		25	A'	330	322	0.976	646	3241
		28	A"	3155	2967	0.940	646	3242
		31	A"	3113	2967	0.953	646	3243
		34	A"	1507	1445	0.959	646	3244
		37	A"	1427	1364	0.956	646	3245
		40	A"	1003			646	3246
		48	A"	12			646	3247
HNC	hydrogen isocyanide	3	Π	490	477	0.974	647	3248
SO2	Sulfur dioxide	1	A1	1162	1151	0.991	648	3249
SO3	Sulfur trioxide	3	E'	1388	1391	1.002	649	3250
C2Cl2	dichloroacetylene	1	Σg	2337	2234	0.956	650	3251
		4	Πg	159	333	2.089	650	3252
ClFO3	Perchloryl fluoride	4	E	1234	1315	1.066	651	3253
BF3	Borane, trifluoro-	3	E'	1473	1449	0.984	652	3254
PF5	Phosphorus pentafluoride	2	A1'	652	648	0.993	653	3255
		5	E'	1030	1024	0.994	653	3256
		8	E"	506	520	1.027	653	3257
NH3	Ammonia	2	A1	1143	950	0.831	654	3258
		4	E	1684	1627	0.966	654	3259
H2SO4	Sulfuric acid	1	A	3870	3563	0.921	655	3260
		4	A	833	831	0.999	655	3261
		7	A	379	379	0.998	655	3262
		10	B	1481	1452	0.981	655	3263
HNO3	Nitric acid	2	A'	1807	1708	0.945	656	3264
		5	A'	958	879	0.918	656	3265
		8	A"	788	762	0.967	656	3266
PCl3	Phosphorus trichloride	1	A1	503	504	1.003	657	3267
H2O2	Hydrogen peroxide	1	A	3876	3599	0.928	658	3268
		4	A	376	371	0.987	658	3269
N2	Nitrogen diatomic	1	Σg	2395	2359	0.985	659	3270
H2O	Water	2	A1	1688	1595	0.945	660	3271
F2	Fluorine diatomic	1	Σg	881	917	1.040	661	3272
HNO2	Nitrous acid	3	A'	1349	1263	0.937	662	3273
		6	A"	562	543	0.967	662	3274
H2S	Hydrogen sulfide	3	B2	2779	2626	0.945	663	3275
F2O	Difluorine monoxide	1	A1	950	928	0.976	664	3276
NF3	Nitrogen trifluoride	1	A1	1077	1032	0.958	665	3277
PF3	Phosphorus trifluoride	1	A1	900	892	0.992	666	3278
SiF4	Silicon tetrafluoride	1	A1	797	800	1.004	667	3279
		3	T2	1041	1032	0.991	667	3280
		4	T2	386	389	1.008	667	3281
BeH2	beryllium dihydride	3	Πu	690	698	1.011	668	3282
HSO3F	Fluorosulfonic acid	2	A	1501	1486	0.990	669	3283
		5	A	897	896	0.999	669	3284
		8	A	530	551	1.040	669	3285
FNO	Nitrosyl fluoride	3	A'	561	520	0.926	670	3286
FNO3	Fluorine nitrate	2	A'	1387	1301	0.938	671	3287
		5	A'	691	633	0.917	671	3288
		8	A"	743	709	0.954	671	3289
HOCl	hypochlorous acid	3	A'	702	724	1.032	672	3290
SO2Cl2	Sulfuryl chloride	2	A1	557	577	1.035	673	3291
		5	A2	273	282	1.032	673	3292
NH2OH	hydroxylamine	2	A'	3487	3294	0.945	674	3293
		5	A'	1189	1115	0.938	674	3294
PH3	Phosphine	1	A1	2460	2323	0.944	675	3295
SiHCl3	Trichlorosilane	1	A1	2391	2261	0.946	676	3296
		4	E	848	811	0.956	676	3297
Cl3PO	Phosphoryl chloride	5	E	338	333	0.984	677	3298
SiCl4	Silane, tetrachloro-	1	A1	431	424	0.984	678	3299
		3	T2	634	621	0.980	678	3300
PCl5	Phosphorus pentachloride	4	A2"	305	299	0.981	679	3301
		6	E'	276	273	0.988	679	3302
OClO	Chlorine dioxide	2	A1	420	448	1.067	680	3303
SiO	Silicon monoxide	1	Σ	1233	1242	1.007	681	3304
BCl3	Borane, trichloro-	3	E'	991	956	0.964	682	3305
BHCl2	Borane, dichloro-	6	B2	937	892	0.952	683	3306
LiO	lithium oxide	1	Σ	834	815	0.977	684	3307
BO	boron monoxide	1	Σ	1889	1885	0.998	685	3308
ClNO2	Nitryl chloride	1	A1	1368	1267	0.926	686	3309
HCF	Fluoromethylene	3	A'	1230	1189	0.966	687	3310
H2S2	HSSH	3	A	500	515	1.029	688	3311
		6	B	911	878	0.964	688	3312
SiH3Cl	chlorosilane	1	A1	2324	2201	0.947	689	3313
		4	E	2335	2195	0.940	689	3314
F3PO	Phosphoryl fluoride	5	E	464	482	1.038	690	3315
AlFCl2	Aluminum dichloride fluoride	1	A1	908	850	0.936	691	3316
		4	B1	236	220	0.931	691	3317
SiH3F	monofluorosilane	3	A1	884	872	0.987	692	3318
		5	E	995	956	0.961	692	3319
B2Cl4	Diboron tetrachloride	9	E	100	104	1.036	693	3320
BHF2	Difluoroborane	3	A1	549	542	0.988	694	3321
PH2	Phosphino radical	2	A1	1153	1102	0.956	695	3322
B2O2	Diboron dioxide	1	Σg	2118	2060	0.973	696	3323
NH2	Amino radical	2	A1	1552	1497	0.965	697	3324
SiH	Silylidyne	1	Σ	2069	2043	0.987	698	3325
N2F2	Dinitrogen difluoride, (E)-	3	Ag	630	603	0.957	699	3326
BeCl	beryllium chloride	1	Σ	858	847	0.987	700	3327
AlF2Cl	Aluminum chloride difluoride	1	A1	846	820	0.969	701	3328
HPO	HPO	1	A'	2200	2095	0.952	702	3329
SiH2	silicon dihydride	3	B2	2097	1993	0.950	703	3330
SiCl	Clorosilylidyne	1	Σ	521	536	1.028	704	3331
NF	nitrogen fluoride	1	Σ	1156	1141	0.987	705	3332
		1	Σ	1187	1141	0.962	705	3333
HNO	Nitrosyl hydride	2	A'	1656	1565	0.945	706	3334
Li2	Lithium diatomic	1	Σg	348	351	1.011	707	3335
AlH2	aluminum dihydride	2	A1	778	760	0.977	708	3336
HBS	hydrogen boron sulfide	2	Σ	1188	1172	0.987	709	3337
ClO	Monochlorine monoxide	1	Σ	771	854	1.107	710	3338
SCl	sulfur monochloride	1	Σ	532	575	1.080	711	3339
SF	Monosulfur monofluoride	1	Σ	780	838	1.074	712	3340
PN	Phosphorus mononitride	1	Σ	1372	1337	0.975	713	3341
B2H6	Diborane	2	Ag	2189	2104	0.961	714	3342
		5	Au	860	833	0.969	714	3343
		8	B1u	2006	1915	0.954	714	3344
		11	B2g	893	850	0.952	714	3345
		14	B2u	366	368	1.007	714	3346
		17	B3u	1756	1602	0.912	714	3347
HBO	Boron hydride oxide	2	Σ	1847	1826	0.988	715	3348
SSO	Disulfur monoxide	1	A'	1150	1166	1.014	716	3349
ClS2	Sulfur chloride	3	A'	214	196	0.917	717	3350

How do we calculate the scaling factor?