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

Vibrational frequency scaling factors

Calculated vibrational frequencies ("theory" in table) are calculated at M06-2X/6-31G*

Scale factor	How many		Source
	Molecules	Vibrations
0.947 ± 0.019	209	3100	cccbdb

Jump to histogram

Formula	Name	Mode	Symmetry	Frequency			Count
				Theory	Experiment	ratio	molecules	vibrations
H2CO	Formaldehyde	2	A1	1906	1746	0.916	1	1
		5	B2	3052	2843	0.932	1	2
CCl4	Carbon tetrachloride	1	A1	469	459	0.979	2	3
		2	E	221	217	0.984	2	4
		3	T2	790	776	0.982	2	5
		4	T2	319	314	0.984	2	6
C3H4O2	β–Propiolactone	1	A'	3155	3001	0.951	3	7
		4	A'	1551	1475	0.951	3	8
		7	A'	1251	1199	0.958	3	9
		9	A'	1052	1005	0.956	3	10
		10	A'	1021	924	0.905	3	11
		12	A'	767	746	0.973	3	12
		13	A'	503	513	1.020	3	13
		15	A"	3198	3000	0.938	3	14
		16	A"	1214	1184	0.975	3	15
		18	A"	1076	1046	0.972	3	16
		21	A"	178	113	0.635	3	17
CH3CH2OH	Ethanol	1	A'	3835	3653	0.952	4	18
		3	A'	3092	2939	0.951	4	19
		6	A'	1533	1464	0.955	4	20
		9	A'	1294	1256	0.971	4	21
		12	A'	930	888	0.954	4	22
		14	A"	3180	2991	0.941	4	23
		15	A"	3070	2910	0.948	4	24
		17	A"	1319	1275	0.967	4	25
		18	A"	1198	1161	0.969	4	26
		20	A"	284			4	27
		21	A"	236			4	28
HCOOH	Formic acid	1	A'	3735	3570	0.956	5	29
		3	A'	1910	1770	0.927	5	30
		4	A'	1428	1387	0.971	5	31
		6	A'	1187	1105	0.931	5	32
		7	A'	645	625	0.970	5	33
		9	A"	717	638	0.889	5	34
CH3COOH	Acetic acid	1	A'	3765	3583	0.952	6	35
		4	A'	1922	1788	0.930	6	36
		7	A'	1375	1264	0.920	6	37
		10	A'	892	847	0.949	6	38
		12	A'	422			6	39
		13	A"	3173	2996	0.944	6	40
		15	A"	1078	1048	0.972	6	41
		16	A"	699	642	0.918	6	42
		18	A"	92i	93	-1.009	6	43
CH3OH	Methyl alcohol	2	A'	3176	3000	0.944	7	44
		5	A'	1515	1455	0.960	7	45
		8	A'	1082	1033	0.955	7	46
		10	A"	1533	1477	0.963	7	47
		11	A"	1189	1165	0.980	7	48
CH3COCH3	Acetone	3	A1	1890	1731	0.916	8	49
		3	A'	3037	1731	0.570	8	50
		5	A1	1410	1364	0.967	8	51
		5	A'	1504	1364	0.907	8	52
		6	A1	1095	1066	0.974	8	53
		6	A'	1424	1066	0.748	8	54
		8	A1	377	385	1.020	8	55
		8	A'	1113	385	0.346	8	56
		9	A2	3152	2963	0.940	8	57
		9	A'	993	2963	2.985	8	58
		11	A2	891	877	0.984	8	59
		11	A'	369	877	2.373	8	60
		12	A2	36	77	2.138	8	61
		12	A'	313	77	0.246	8	62
		14	B1	1521	1454	0.956	8	63
		14	A"	3172	1454	0.458	8	64
		15	B1	1132	1091	0.964	8	65
		15	A"	3131	1091	0.348	8	66
		17	B1	143	125	0.874	8	67
		17	A"	1506	125	0.083	8	68
		20	B2	1494	1410	0.944	8	69
		20	A"	1183	1410	1.192	8	70
		23	B2	905	891	0.984	8	71
		23	A"	363	891	2.452	8	72
CHCl3	Chloroform	2	A1	686	680	0.991	9	73
		6	E	268	260	0.970	9	74
C2H6O2S	Dimethyl sulfone	1	A1	3217	3018	0.938	10	75
		3	A1	1489	1451	0.975	10	76
		6	A1	1034	1013	0.980	10	77
		9	A1	272	294	1.081	10	78
		12	A2	958	937	0.978	10	79
		14	A2	210			10	80
		15	B1	3227	3025	0.938	10	81
		17	B1	1382	1269	0.918	10	82
		18	B1	1019	986	0.967	10	83
		20	B1	239	262	1.094	10	84
		21	B2	3217	3017	0.938	10	85
		23	B2	1479	1438	0.972	10	86
		26	B2	774	771	0.997	10	87
C6H6	Benzene	3	A2g	1381	1326	0.960	11	88
		5	B1u	3202	3068	0.958	11	89
		6	B1u	1014	1010	0.996	11	90
		8	B2g	724	703	0.971	11	91
		9	B2u	1362	1310	0.962	11	92
		11	E1g	879	849	0.966	11	93
		13	E1u	1541	1486	0.964	11	94
		14	E1u	1082	1038	0.959	11	95
		17	E2g	1208	1178	0.975	11	96
		20	E2u	414	410	0.989	11	97
CH3CCl3	Ethane, 1,1,1-trichloro-	2	A1	1439	1386	0.963	12	98
		4	A1	546	526	0.963	12	99
		5	A1	355	344	0.968	12	100
		7	E	3198	3014	0.943	12	101
		9	E	1126	1088	0.966	12	102
		10	E	763	724	0.949	12	103
CH4	Methane	1	A1	3093	2917	0.943	13	104
		3	T2	3216	3019	0.939	13	105
C2H6	Ethane	2	A1g	1454	1388	0.955	14	106
		4	A1u	301	289	0.960	14	107
		5	A2u	3080	2915	0.946	14	108
		7	Eg	3141	2969	0.945	14	109
		9	Eg	1231	1190	0.967	14	110
		10	Eu	3163	2974	0.940	14	111
C2H4	Ethylene	2	Ag	1743	1623	0.931	15	112
		5	B1u	3182	2989	0.939	15	113
		8	B2u	3283	3105	0.946	15	114
		11	B3g	1245	1217	0.978	15	115
C2H2	Acetylene	2	Σg	2126	1974	0.929	16	116
		4	Πg	643	612	0.952	16	117
CH3Cl	Methyl chloride	2	A1	1422	1355	0.953	17	118
		6	E	1052	1015	0.965	17	119
CH3NH2	methyl amine	1	A'	3514	3361	0.956	18	120
		4	A'	1706	1623	0.952	18	121
		7	A'	1199	1130	0.942	18	122
		10	A"	3601	3427	0.952	18	123
		13	A"	1371	1335	0.974	18	124
		15	A"	337	268	0.794	18	125
HCN	Hydrogen cyanide	1	Σ	3489	3312	0.949	19	126
		2	Σ	2267	2089	0.922	19	127
CH3SH	Methanethiol	3	A'	2752	2597	0.944	20	128
		6	A'	1123	1074	0.957	20	129
		9	A"	3195	3000	0.939	20	130
		11	A"	991	976	0.985	20	131
C3H8	Propane	1	A1	3163	2977	0.941	21	132
		3	A1	3079	2887	0.938	21	133
		4	A1	1547	1476	0.954	21	134
		6	A1	1450	1392	0.960	21	135
		7	A1	1196	1158	0.968	21	136
		9	A1	374	369	0.986	21	137
		10	A2	3149	2967	0.942	21	138
		12	A2	1333	1278	0.959	21	139
		15	B1	3158	2973	0.941	21	140
		18	B1	1228	1192	0.970	21	141
		21	B2	3161	2968	0.939	21	142
		23	B2	1531	1464	0.956	21	143
		24	B2	1439	1378	0.958	21	144
		26	B2	1091	1054	0.966	21	145
		27	B2	946	922	0.975	21	146
CH3CCH	propyne	1	A1	3507	3334	0.951	22	147
		4	A1	1436	1382	0.962	22	148
		8	E	1069	1053	0.985	22	149
		9	E	672	633	0.942	22	150
CH3CH2Cl	Ethyl chloride	3	A'	3088	2881	0.933	23	151
		5	A'	1522	1448	0.952	23	152
		6	A'	1441	1385	0.961	23	153
		8	A'	1111	1081	0.973	23	154
		9	A'	1008	974	0.966	23	155
		11	A'	336	336	1.000	23	156
		12	A"	3202	3014	0.941	23	157
		14	A"	1513	1448	0.957	23	158
		17	A"	795	786	0.988	23	159
CH2CHCl	Ethene, chloro-	1	A'	3294	3121	0.947	24	160
		3	A'	3199	3030	0.947	24	161
		6	A'	1319	1279	0.970	24	162
		9	A'	396	395	0.996	24	163
		12	A"	631	620	0.983	24	164
CH2CHF	Ethene, fluoro-	1	A'	3324	3115	0.937	25	165
		3	A'	3222	3052	0.947	25	166
		4	A'	1775	1654	0.932	25	167
		6	A'	1350	1306	0.967	25	168
		7	A'	1216	1156	0.950	25	169
		9	A'	484	483	0.997	25	170
		10	A"	1001	940	0.939	25	171
		12	A"	751	711	0.946	25	172
CH3CH2NH2	Ethylamine	1	A'	3496	3345	0.957	26	173
		4	A'	3071	2860	0.931	26	174
		6	A'	1537	1487	0.968	26	175
		7	A'	1519	1465	0.964	26	176
		9	A'	1401	1397	0.997	26	177
		10	A'	1182	1016	0.860	26	178
		12	A'	918	892	0.972	26	179
		13	A'	897	773	0.862	26	180
		15	A"	3582	3412	0.953	26	181
		18	A"	1530	1455	0.951	26	182
		21	A"	1018	1117	1.097	26	183
		24	A"	258	218	0.846	26	184
CH3CN	Acetonitrile	1	A1	3102	2954	0.952	27	185
		2	A1	2441	2267	0.929	27	186
		4	A1	949	920	0.970	27	187
		6	E	1502	1448	0.964	27	188
CH3CHO	Acetaldehyde	1	A'	3202	3014	0.941	28	189
		3	A'	3003	2716	0.904	28	190
		4	A'	1904	1743	0.915	28	191
		6	A'	1455	1395	0.959	28	192
		7	A'	1407	1352	0.961	28	193
		9	A'	909	867	0.954	28	194
		12	A"	1504	1431	0.952	28	195
		15	A"	137	150	1.092	28	196
CH3CH2SH	ethanethiol	2	A'	3112	2872	0.923	29	197
		5	A'	1536	1453	0.946	29	198
		8	A'	1328	1309	0.986	29	199
		10	A'	1021	978	0.958	29	200
		11	A'	881	870	0.988	29	201
		13	A'	309	332	1.073	29	202
		14	A"	3180	2966	0.933	29	203
		16	A"	1522	1453	0.954	29	204
		17	A"	1289	1269	0.985	29	205
		19	A"	802	745	0.929	29	206
CH2Cl2	Methylene chloride	2	A1	1500	1467	0.978	30	207
		3	A1	726	717	0.987	30	208
		5	A2	1218	1153	0.947	30	209
		6	B1	3262	3040	0.932	30	210
		8	B2	1341	1268	0.946	30	211
		9	B2	778	758	0.974	30	212
CH2F2	Methane, difluoro-	1	A1	3118	2948	0.945	31	213
		2	A1	1580	1508	0.954	31	214
		4	A1	535	529	0.988	31	215
		5	A2	1304	1262	0.968	31	216
		7	B1	1210	1178	0.974	31	217
		8	B2	1524	1435	0.942	31	218
CHONH2	formamide	1	A'	3768	3564	0.946	32	219
		2	A'	3632	3439	0.947	32	220
		4	A'	1888	1754	0.929	32	221
		5	A'	1643	1577	0.960	32	222
		7	A'	1294	1258	0.972	32	223
		8	A'	1071	1046	0.976	32	224
		10	A"	1061	1021	0.963	32	225
HNCO	Isocyanic acid	2	A'	2414	2269	0.940	33	226
		5	A'	566	577	1.020	33	227
CS2	Carbon disulfide	1	Σg	692	658	0.951	34	228
		2	Σu	1570	1535	0.978	34	229
CH3SCH3	Dimethyl sulfide	2	A1	3088	2930	0.949	35	230
		5	A1	1075	973	0.905	35	231
		8	A2	3178	2952	0.929	35	232
		10	A2	972	919	0.946	35	233
		13	B1	1511	1439	0.953	35	234
		14	B1	1008	973	0.966	35	235
		16	B2	3191	2998	0.939	35	236
		17	B2	3092	2930	0.948	35	237
		19	B2	1381	1315	0.952	35	238
C3H6	Cyclopropane	2	A1'	1560	1479	0.948	36	239
		3	A1'	1255	1188	0.947	36	240
		5	A2'	1088	1070	0.984	36	241
		6	A2"	3271	3103	0.949	36	242
		8	E'	3174	3025	0.953	36	243
		11	E'	933	866	0.928	36	244
		14	E"	729	739	1.013	36	245
C2H4O	Ethylene oxide	3	A1	1344	1271	0.946	37	246
		6	A2	3224	3063	0.950	37	247
		8	A2	1063	860	0.809	37	248
		9	B1	3238	3065	0.947	37	249
		11	B1	831	822	0.989	37	250
		12	B2	3138	3006	0.958	37	251
		14	B2	1165	1151	0.988	37	252
		15	B2	943	892	0.946	37	253
CH3CH(CH3)CH3	Isobutane	2	A1	3068	2904	0.946	38	254
		5	A1	1454	1394	0.959	38	255
		7	A1	824	797	0.967	38	256
		8	A1	435	426	0.980	38	257
		10	A2	1510	1475	0.977	38	258
		11	A2	959	966	1.008	38	259
		13	E	3150	2962	0.940	38	260
		16	E	1537	1477	0.961	38	261
		19	E	1375	1330	0.967	38	262
		20	E	1212	1166	0.962	38	263
		22	E	928	918	0.990	38	264
		23	E	363	367	1.011	38	265
CH3CHClCH3	Propane, 2-chloro-	2	A'	3172	2955	0.932	39	266
		3	A'	3138	2927	0.933	39	267
		5	A'	1542	1472	0.955	39	268
		8	A'	1314	1270	0.966	39	269
		11	A'	923	888	0.962	39	270
		14	A'	347	336	0.969	39	271
		16	A"	3187	2997	0.940	39	272
		17	A"	3165	2985	0.943	39	273
		19	A"	1520	1472	0.968	39	274
		20	A"	1513	1454	0.961	39	275
		22	A"	1376	1334	0.969	39	276
		23	A"	1174	1123	0.957	39	277
		25	A"	953	936	0.982	39	278
CH2CCl2	Ethene, 1,1-dichloro-	1	A1	3213	3035	0.945	40	279
		4	A1	624	603	0.967	40	280
		7	B1	922	875	0.949	40	281
		10	B2	1112	1095	0.985	40	282
		12	B2	382	372	0.974	40	283
CH3COCl	Acetyl Chloride	3	A'	1975	1818	0.920	41	284
		5	A'	1417	1368	0.966	41	285
		6	A'	1136	1108	0.975	41	286
		8	A'	622	604	0.971	41	287
		9	A'	458	445	0.972	41	288
		11	A"	3182	2990	0.940	41	289
		12	A"	1496	1431	0.956	41	290
		14	A"	522	518	0.993	41	291
CH3CHF2	Ethane, 1,1-difluoro-	1	A'	3200	3015	0.942	42	292
		3	A'	3111	2964	0.953	42	293
		6	A'	1417	1357	0.958	42	294
		9	A'	901	868	0.963	42	295
		12	A"	3203			42	296
		14	A"	1444	1362	0.943	42	297
		15	A"	1221	1135	0.930	42	298
		17	A"	384			42	299
		18	A"	259			42	300
CH2CF2	Ethene, 1,1-difluoro-	2	A1	1845	1728	0.937	43	301
		4	A1	978	926	0.947	43	302
		5	A1	554	550	0.993	43	303
		7	B1	841	803	0.955	43	304
		8	B1	643	611	0.950	43	305
		10	B2	1403	1302	0.928	43	306
		11	B2	976	955	0.979	43	307
CCl2O	Phosgene	1	A1	1965	1827	0.930	44	308
		3	A1	304	285	0.938	44	309
		4	B1	584	580	0.993	44	310
		6	B2	454	440	0.968	44	311
CHF3	Methane, trifluoro-	2	A1	1192	1117	0.937	45	312
		3	A1	717	700	0.977	45	313
		5	E	1241	1152	0.928	45	314
		6	E	515	507	0.984	45	315
N(CH3)3	Trimethylamine	2	A1	2989	2775	0.928	46	316
		3	A1	1533	1459	0.952	46	317
		5	A1	1225	1186	0.968	46	318
		6	A1	874	828	0.948	46	319
		8	A2	3155	2977	0.944	46	320
		11	A2	231	255	1.102	46	321
		13	E	3109	2953	0.950	46	322
		16	E	1510	1444	0.956	46	323
		17	E	1464	1409	0.963	46	324
		19	E	1134	1103	0.973	46	325
		20	E	1089	1043	0.958	46	326
CFCl3	Trichloromonofluoromethane	1	A1	1199	1085	0.905	47	327
		3	A1	358	350	0.978	47	328
		5	E	407	394	0.969	47	329
CF2Cl2	difluorodichloromethane	2	A1	676	667	0.987	48	330
		3	A1	460	458	0.995	48	331
		5	A2	325	322	0.991	48	332
		6	B1	909	902	0.992	48	333
		8	B2	1283	1159	0.903	48	334
		9	B2	432	446	1.033	48	335
CF3Cl	Methane, chlorotrifluoro-	1	A1	1162	1105	0.951	49	336
		3	A1	484	476	0.983	49	337
		5	E	567	563	0.993	49	338
CF4	Carbon tetrafluoride	1	A1	946	909	0.961	50	339
		3	T2	1370	1280	0.934	50	340
		4	T2	632	631	0.998	50	341
C2F6	hexafluoroethane	1	A1g	1503	1420	0.945	51	342
		3	A1g	352	349	0.992	51	343
		4	A1u	59	68	1.146	51	344
		6	A2u	722	714	0.989	51	345
		7	Eg	1334	1237	0.927	51	346
		8	Eg	629	620	0.986	51	347
		11	Eu	525	523	0.995	51	348
C5H8	1,3-Butadiene, 2-methyl-	1	A'	3280	3095	0.944	52	349
		3	A'	3198	3000	0.938	52	350
		4	A'	3188	3000	0.941	52	351
		6	A'	3169	2984	0.942	52	352
		7	A'	3077	2904	0.944	52	353
		9	A'	1716	1607	0.936	52	354
		12	A'	1460	1389	0.951	52	355
		15	A'	1333	1303	0.977	52	356
		18	A'	978	953	0.974	52	357
		20	A'	531	530	0.999	52	358
		21	A'	427	396	0.927	52	359
		23	A"	3142	2949	0.939	52	360
		24	A"	1503	1451	0.966	52	361
		26	A"	1047	991	0.947	52	362
		27	A"	962	907	0.943	52	363
		29	A"	802	757	0.944	52	364
		32	A"	194	153	0.788	52	365
CHOCH(CH3)CH3	Propanal, 2-methyl-	1	A'	3166	2974	0.939	53	366
		4	A'	3076	2876	0.935	53	367
		6	A'	1899	1752	0.922	53	368
		7	A'	1542	1474	0.956	53	369
		9	A'	1451	1399	0.964	53	370
		10	A'	1437	1381	0.961	53	371
		12	A'	1198	1182	0.987	53	372
		13	A'	1196	1138	0.952	53	373
		15	A'	862	800	0.929	53	374
		16	A'	553	632	1.142	53	375
		18	A'	333	272	0.816	53	376
		21	A"	3148	2982	0.947	53	377
		24	A"	1516	1452	0.958	53	378
		27	A"	1160	1109	0.956	53	379
		29	A"	965	942	0.977	53	380
		30	A"	940	933	0.992	53	381
		32	A"	216	227	1.053	53	382
		33	A"	70	75	1.079	53	383
CH2ClCHClCH3	Propane, 1,2-dichloro-	1	A	3218	3022	0.939	54	384
		2	A	3188	3004	0.942	54	385
		4	A	3161	2970	0.940	54	386
		5	A	3147	2949	0.937	54	387
		7	A	1527	1462	0.958	54	388
		10	A	1440	1391	0.966	54	389
		13	A	1286	1238	0.963	54	390
		16	A	1108	1076	0.971	54	391
		18	A	933	890	0.954	54	392
		19	A	890	850	0.955	54	393
		21	A	703	685	0.974	54	394
		22	A	415	417	1.004	54	395
		24	A	288	285	0.989	54	396
		25	A	249	250	1.003	54	397
		27	A	105	108	1.026	54	398
CH3COCH2CH3	2-Butanone	2	A'	3171	2983	0.941	55	399
		5	A'	3065	2884	0.941	55	400
		8	A'	1496	1422	0.951	55	401
		11	A'	1420	1346	0.948	55	402
		14	A'	1125	1089	0.968	55	403
		16	A'	955	939	0.983	55	404
		17	A'	783	760	0.970	55	405
		19	A'	405	413	1.021	55	406
		20	A'	257	260	1.010	55	407
		22	A"	3149	2983	0.947	55	408
		23	A"	3100	2941	0.949	55	409
		25	A"	1503	1413	0.940	55	410
		28	A"	952	952	1.000	55	411
		31	A"	185	201	1.089	55	412
CHClCCl2	Trichloroethylene	2	A'	1708	1586	0.929	56	413
		3	A'	1297	1247	0.962	56	414
		5	A'	864	840	0.972	56	415
		6	A'	647	630	0.974	56	416
		8	A'	280	277	0.989	56	417
		11	A"	478	451	0.943	56	418
CH3COOCH3	methyl acetate	2	A'	3212	3031	0.944	57	419
		4	A'	3099	2964	0.957	57	420
		5	A'	1899	1771	0.933	57	421
		7	A'	1504	1440	0.957	57	422
		8	A'	1497	1430	0.955	57	423
		10	A'	1327	1248	0.940	57	424
		11	A'	1229	1159	0.943	57	425
		13	A'	1009	980	0.972	57	426
		16	A'	428	429	1.002	57	427
		19	A"	3173	2994	0.944	57	428
		22	A"	1196	1187	0.992	57	429
		24	A"	607	607	1.001	57	430
		25	A"	182	187	1.026	57	431
		27	A"	91i	110	-1.212	57	432
C6H5CHO	benzaldehyde	1	A'	3245	3099	0.955	58	433
		3	A'	3231	3081	0.954	58	434
		4	A'	3215	3043	0.946	58	435
		6	A'	2978	2806	0.942	58	436
		9	A'	1686	1603	0.951	58	437
		12	A'	1439	1387	0.964	58	438
		15	A'	1250	1202	0.962	58	439
		17	A'	1190	1158	0.974	58	440
		18	A'	1118	1074	0.961	58	441
		20	A'	1023	996	0.974	58	442
		21	A'	850	825	0.971	58	443
		23	A'	627	617	0.984	58	444
		24	A'	445	437	0.983	58	445
		26	A"	1048	1003	0.957	58	446
		27	A"	1029	996	0.968	58	447
		29	A"	953	918	0.963	58	448
		32	A"	708	688	0.971	58	449
		35	A"	240	217	0.904	58	450
CH2CHCHCH2	1,3-Butadiene	3	Ag	3172	2992	0.943	59	451
		6	Ag	1329	1280	0.963	59	452
		9	Ag	515	512	0.994	59	453
		11	Au	953	908	0.953	59	454
		12	Au	532	522	0.981	59	455
		14	Bg	1014	976	0.962	59	456
		15	Bg	956	912	0.954	59	457
		17	Bu	3269	3101	0.949	59	458
		18	Bu	3186	3055	0.959	59	459
		20	Bu	1705	1596	0.936	59	460
		23	Bu	1003	990	0.987	59	461
CHCCH2CH3	1-Butyne	1	A'	3509	3332	0.949	60	462
		2	A'	3178	2988	0.940	60	463
		4	A'	3088			60	464
		5	A'	2285	2116	0.926	60	465
		7	A'	1509	1446	0.958	60	466
		10	A'	1110	1070	0.964	60	467
		13	A'	681	634	0.931	60	468
		16	A"	3186	2988	0.938	60	469
		18	A"	1532	1462	0.954	60	470
		19	A"	1306	1261	0.966	60	471
		21	A"	795	782	0.983	60	472
		22	A"	682	630	0.924	60	473
		24	A"	233	213	0.913	60	474
CH2ClCH2Cl	Ethane, 1,2-dichloro-	2	Ag	1524	1445	0.948	61	475
		4	Ag	1094	1052	0.961	61	476
		5	Ag	803	754	0.939	61	477
		7	Au	3236	3005	0.928	61	478
		8	Au	1175	1123	0.955	61	479
		10	Au	117	123	1.053	61	480
		11	Bg	3217	3005	0.934	61	481
		13	Bg	1036	989	0.955	61	482
		16	Bu	1294	1232	0.952	61	483
C3H3N	acrylonitrile	1	A'	3293	3125	0.949	62	484
		4	A'	2416	2239	0.927	62	485
		7	A'	1326	1282	0.967	62	486
		10	A'	582	570	0.979	62	487
		12	A"	1014	972	0.959	62	488
		13	A"	1000	954	0.954	62	489
		15	A"	346	362	1.045	62	490
C3H6O	2-Propen-1-ol	1	A	3836	3675	0.958	63	491
		3	A	3202	3022	0.944	63	492
		4	A	3189	2995	0.939	63	493
		6	A	3029	2866	0.946	63	494
		7	A	1779	1654	0.930	63	495
		9	A	1502	1414	0.941	63	496
		12	A	1294	1293	0.999	63	497
		15	A	1134	1110	0.979	63	498
		18	A	979	919	0.939	63	499
		21	A	458	554	1.210	63	500
		23	A	286	277	0.970	63	501
		24	A	127	188	1.480	63	502
C2H2O2	Ethanedial	2	Ag	1899	1745	0.919	64	503
		3	Ag	1392	1338	0.961	64	504
		5	Ag	569	551	0.969	64	505
		6	Au	834	801	0.961	64	506
		8	Bg	1084	1048	0.967	64	507
		11	Bu	1349	1312	0.973	64	508
CH3OCHO	methyl formate	2	A'	3159	2969	0.940	65	509
		5	A'	1529	1454	0.951	65	510
		7	A'	1429	1371	0.959	65	511
		8	A'	1293	1207	0.934	65	512
		10	A'	1002	925	0.923	65	513
		11	A'	799	767	0.960	65	514
		13	A"	3187	3012	0.945	65	515
		14	A"	1526	1443	0.945	65	516
		16	A"	1055	1032	0.978	65	517
C6H5Cl	chlorobenzene	1	A1	3245	3084	0.951	66	518
		2	A1	3232	3054	0.945	66	519
		4	A1	1687	1586	0.940	66	520
		5	A1	1540	1483	0.963	66	521
		7	A1	1138	1092	0.960	66	522
		8	A1	1068	1025	0.960	66	523
		10	A1	722	706	0.978	66	524
		13	A2	861	832	0.966	66	525
		16	B1	935	902	0.965	66	526
		19	B1	483	467	0.966	66	527
		22	B2	3221	3067	0.952	66	528
		24	B2	1507	1448	0.961	66	529
		25	B2	1359	1326	0.975	66	530
		27	B2	1188	1157	0.974	66	531
		28	B2	1116	1068	0.957	66	532
		30	B2	299	295	0.987	66	533
C5H12	Pentane	1	A1	3162	2973	0.940	67	534
		4	A1	3052	2866	0.939	67	535
		7	A1	1517	1450	0.956	67	536
		10	A1	1184	1144	0.966	67	537
		12	A1	894	867	0.969	67	538
		13	A1	405	401	0.990	67	539
		15	A2	3154	2967	0.941	67	540
		16	A2	3105	2908	0.937	67	541
		18	A2	1350	1346	0.997	67	542
		19	A2	1283	1269	0.989	67	543
		21	A2	771	766	0.994	67	544
		24	B1	3155	2965	0.940	67	545
		27	B1	1536	1469	0.956	67	546
		30	B1	874	858	0.982	67	547
		32	B1	252	215	0.852	67	548
		33	B1	120	88	0.731	67	549
		35	B2	3081	2879	0.934	67	550
		36	B2	3067	2866	0.934	67	551
		38	B2	1519	1456	0.958	67	552
		39	B2	1442	1389	0.964	67	553
		41	B2	1304	1269	0.973	67	554
		44	B2	952	910	0.956	67	555
CH3CH2CH2CN	Butanenitrile	2	A'	3108	2895	0.932	68	556
		5	A'	2435	2263	0.929	68	557
		7	A'	1525	1457	0.955	68	558
		8	A'	1502	1438	0.957	68	559
		10	A'	1413	1346	0.953	68	560
		11	A'	1322	1334	1.009	68	561
		13	A'	1078	1053	0.977	68	562
		14	A'	982	920	0.937	68	563
		16	A'	545	551	1.011	68	564
		19	A"	3166	2986	0.943	68	565
		22	A"	1529	1469	0.961	68	566
		25	A"	1149	1083	0.943	68	567
		28	A"	402	370	0.920	68	568
		30	A"	103			68	569
C3H2N2	Malononitrile	1	A1	3112	2935	0.943	69	570
		2	A1	2462	2275	0.924	69	571
		4	A1	926	890	0.961	69	572
		5	A1	594	582	0.979	69	573
		7	A2	1260	1220	0.968	69	574
		10	B1	957	933	0.974	69	575
		13	B2	1369	1318	0.963	69	576
C4H5N	Pyrrole	2	A1	3310	3149	0.951	70	577
		5	A1	1463	1401	0.958	70	578
		8	A1	1055	1017	0.964	70	579
		11	A2	698	692	0.991	70	580
		13	B1	851	827	0.971	70	581
		14	B1	746	722	0.969	70	582
		16	B1	483	475	0.983	70	583
		17	B2	3298	3143	0.953	70	584
		19	B2	1623	1519	0.935	70	585
		20	B2	1504	1424	0.947	70	586
		22	B2	1176	1134	0.964	70	587
		23	B2	1089	1049	0.963	70	588
C4H8O	Furan, tetrahydro-	1	A	3158	2962	0.938	71	589
		2	A	3134	2941	0.939	71	590
		4	A	3065	2875	0.938	71	591
		7	A	1430	1365	0.954	71	592
		10	A	1218	1178	0.967	71	593
		13	A	963	919	0.954	71	594
		15	A	864	840	0.973	71	595
		16	A	677	657	0.971	71	596
		18	B	3166	2972	0.939	71	597
		19	B	3133	2934	0.937	71	598
		21	B	3060	2858	0.934	71	599
		22	B	1560	1477	0.947	71	600
		24	B	1389	1334	0.961	71	601
		27	B	1215	1162	0.956	71	602
		30	B	929	910	0.979	71	603
		33	B	53	137	2.570	71	604
C4H4O	Furan	2	A1	3300	3140	0.952	72	605
		5	A1	1189	1140	0.959	72	606
		8	A1	893	871	0.975	72	607
		10	A2	754	728	0.966	72	608
		11	A2	618	603	0.976	72	609
		13	B1	777	745	0.959	72	610
		14	B1	629	613	0.974	72	611
		16	B2	3293	3129	0.950	72	612
		17	B2	1648	1556	0.944	72	613
		19	B2	1269	1180	0.930	72	614
C4H4S	Thiophene	1	A1	3305	3126	0.946	73	615
		3	A1	1502	1409	0.938	73	616
		6	A1	1071	1036	0.967	73	617
		9	A2	954	867	0.909	73	618
		12	B1	917	839	0.915	73	619
		14	B1	458	452	0.987	73	620
		15	B2	3303	3125	0.946	73	621
		17	B2	1620	1504	0.929	73	622
		18	B2	1292	1256	0.972	73	623
		20	B2	893	903	1.011	73	624
		21	B2	767	751	0.979	73	625
C6H14	Hexane	3	Ag	3065	2863	0.934	74	626
		6	Ag	1521	1460	0.960	74	627
		8	Ag	1438	1397	0.972	74	628
		9	Ag	1436	1366	0.951	74	629
		11	Ag	1180	1140	0.966	74	630
		12	Ag	1106	1065	0.963	74	631
		14	Ag	919	901	0.980	74	632
		15	Ag	373	371	0.995	74	633
		17	Au	3147	2967	0.943	74	634
		18	Au	3116	2936	0.942	74	635
		20	Au	1529	1460	0.955	74	636
		23	Au	1019	1010	0.991	74	637
		26	Au	245	216	0.883	74	638
		29	Bg	3146	2966	0.943	74	639
		31	Bg	3079	2908	0.944	74	640
		32	Bg	1529	1460	0.955	74	641
		34	Bg	1320	1283	0.972	74	642
		35	Bg	1218	1168	0.959	74	643
		37	Bg	746	740	0.992	74	644
		38	Bg	230	208	0.903	74	645
		40	Bu	3150	2967	0.942	74	646
		43	Bu	3053	2851	0.934	74	647
		46	Bu	1514	1452	0.959	74	648
		49	Bu	1277	1249	0.978	74	649
		51	Bu	1080	1035	0.958	74	650
		52	Bu	913	888	0.973	74	651
		54	Bu	133	139	1.042	74	652
C4H4N2	Succinonitrile	1	Ag	3118	2947	0.945	75	653
		2	Ag	2446	2254	0.921	75	654
		4	Ag	1411	1328	0.941	75	655
		7	Ag	529	508	0.960	75	656
		10	Au	1228	1197	0.975	75	657
		13	Au	85			75	658
		15	Bg	1331	1226	0.921	75	659
		16	Bg	1054	951	0.902	75	660
		18	Bu	3128	2965	0.948	75	661
		19	Bu	2447	2255	0.921	75	662
		21	Bu	1309	1270	0.970	75	663
		22	Bu	955	917	0.960	75	664
		24	Bu	137			75	665
C6H12	Cyclohexane	1	A1g	3113	2930	0.941	76	666
		1	A	3134	2930	0.935	76	667
		3	A1g	1537	1465	0.953	76	668
		3	A	3109	1465	0.471	76	669
		4	A1g	1192	1157	0.970	76	670
		4	A	3078	1157	0.376	76	671
		6	A1g	388	383	0.987	76	672
		6	A	3070	383	0.125	76	673
		7	A1u	1401	1383	0.987	76	674
		7	A	1546	1383	0.895	76	675
		9	A1u	1123	1057	0.942	76	676
		9	A	1511	1057	0.700	76	677
		10	A2g	1356	1437	1.060	76	678
		10	A	1405	1437	1.023	76	679
		12	A2u	3120	2915	0.934	76	680
		12	A	1347	2915	2.164	76	681
		15	A2u	1050	1030	0.981	76	682
		15	A	1269	1030	0.812	76	683
		19	Eg	1505	1443	0.959	76	684
		21	A	788	1443	1.831	76	685
		20	Eg	1406	1347	0.958	76	686
		23	A	431	1347	3.124	76	687
		22	Eg	1057	1027	0.972	76	688
		27	B	3119	1027	0.329	76	689
		23	Eg	795	785	0.988	76	690
		29	B	3079	785	0.255	76	691
		26	Eu	3053	2863	0.938	76	692
		35	B	1399	2863	2.046	76	693
		29	Eu	1295	1261	0.974	76	694
		41	B	1136	1261	1.110	76	695
		30	Eu	920	907	0.985	76	696
		43	B	1026	907	0.884	76	697
		32	Eu	229	248	1.081	76	698
		47	B	552	248	0.450	76	699
C5H5N	Pyridine	1	A1	3235	3094	0.956	77	700
		4	A1	1688	1584	0.938	77	701
		6	A1	1263	1218	0.964	77	702
		7	A1	1111	1072	0.964	77	703
		9	A1	1021	991	0.971	77	704
		10	A1	612	601	0.983	77	705
		12	A2	906	880	0.971	77	706
		13	A2	390	373	0.956	77	707
		15	B1	980	937	0.956	77	708
		16	B1	768	744	0.969	77	709
		18	B1	421	403	0.958	77	710
		21	B2	1685	1581	0.938	77	711
		24	B2	1312	1227	0.935	77	712
		27	B2	671	652	0.972	77	713
C3H6O3	1,3,5-Trioxane	3	A1	1554	1477	0.951	78	714
		6	A1	786	749	0.953	78	715
		8	A2	1420			78	716
		9	A2	1272	1255	0.986	78	717
		11	E	3209	3020	0.941	78	718
		13	E	1533	1477	0.963	78	719
		14	E	1477	1412	0.956	78	720
		17	E	1113	1068	0.960	78	721
		20	E	306	307	1.005	78	722
C5H11N	Piperidine	1	A'	3542	3341	0.943	79	723
		1	A'	3507	3341	0.953	79	724
		2	A'	3134	2947	0.940	79	725
		2	A'	3126	2947	0.943	79	726
		4	A'	3116	2917	0.936	79	727
		4	A'	3112	2917	0.937	79	728
		5	A'	3081	2892	0.939	79	729
		5	A'	3068	2892	0.943	79	730
		7	A'	2971	2730	0.919	79	731
		7	A'	3056	2730	0.893	79	732
		10	A'	1508	1444	0.957	79	733
		10	A'	1508	1444	0.957	79	734
		13	A'	1333	1346	1.010	79	735
		13	A'	1357	1346	0.992	79	736
		16	A'	1081	1035	0.958	79	737
		16	A'	1069	1035	0.968	79	738
		18	A'	934	906	0.970	79	739
		18	A'	942	906	0.962	79	740
		19	A'	886	853	0.963	79	741
		19	A'	880	853	0.969	79	742
		21	A'	806	743	0.922	79	743
		21	A'	803	743	0.926	79	744
		22	A'	550	546	0.992	79	745
		22	A'	552	546	0.989	79	746
		24	A'	408	404	0.990	79	747
		24	A'	399	404	1.011	79	748
		25	A'	254	246	0.969	79	749
		25	A'	250	246	0.983	79	750
		27	A"	3117	2902	0.931	79	751
		27	A"	3112	2902	0.932	79	752
		30	A"	1524	1468	0.963	79	753
		30	A"	1518	1468	0.967	79	754
		33	A"	1405	1332	0.948	79	755
		33	A"	1403	1332	0.949	79	756
		36	A"	1310	1258	0.960	79	757
		36	A"	1313	1258	0.958	79	758
		38	A"	1182	1146	0.970	79	759
		38	A"	1164	1146	0.984	79	760
		39	A"	1173	1115	0.951	79	761
		39	A"	1134	1115	0.983	79	762
		41	A"	991	964	0.973	79	763
		41	A"	960	964	1.004	79	764
		42	A"	904	874	0.967	79	765
		42	A"	896	874	0.976	79	766
		44	A"	449	445	0.990	79	767
		44	A"	453	445	0.982	79	768
		45	A"	249	254	1.020	79	769
		45	A"	234	254	1.084	79	770
CH2CHCH3	Propene	3	A'	3178	2991	0.941	80	771
		6	A'	1776	1650	0.929	80	772
		8	A'	1475	1420	0.963	80	773
		9	A'	1427	1378	0.965	80	774
		11	A'	1204	1171	0.972	80	775
		12	A'	950	963	1.014	80	776
		14	A'	425	428	1.006	80	777
		15	A"	3128	2954	0.944	80	778
		17	A"	1083	1045	0.965	80	779
		18	A"	1042	991	0.951	80	780
		20	A"	585	578	0.989	80	781
CH3OCH3	Dimethyl ether	1	A1	3172	2996	0.945	81	782
		4	A1	1523	1452	0.953	81	783
		7	A1	427	418	0.978	81	784
		9	A2	1518	1464	0.965	81	785
		10	A2	1183	1150	0.972	81	786
		12	B1	3079	2925	0.950	81	787
		13	B1	1529	1464	0.957	81	788
		15	B1	260	242	0.932	81	789
		16	B2	3171	2996	0.945	81	790
		18	B2	1531	1464	0.956	81	791
		19	B2	1485	1452	0.978	81	792
		21	B2	1151	1102	0.957	81	793
CH2C(CH3)CH3	1-Propene, 2-methyl-	2	A1	3173	2941	0.927	82	794
		3	A1	3071	2911	0.948	82	795
		5	A1	1534	1470	0.958	82	796
		6	A1	1472	1416	0.962	82	797
		8	A1	1098	1064	0.969	82	798
		9	A1	839	801	0.954	82	799
		11	A2	3125	2970	0.950	82	800
		14	A2	718			82	801
		17	B1	1524	1444	0.947	82	802
		20	B1	429	429	1.000	82	803
		22	B2	3265	3086	0.945	82	804
		23	B2	3172	2980	0.940	82	805
		25	B2	1518	1458	0.961	82	806
		26	B2	1443	1381	0.957	82	807
		28	B2	1001	1043	1.042	82	808
		29	B2	979	974	0.994	82	809
CH3CH2CHO	Propanal	1	A'	3175	2981	0.939	83	810
		4	A'	2977	2809	0.944	83	811
		7	A'	1487	1416	0.952	83	812
		9	A'	1429	1376	0.963	83	813
		10	A'	1389	1335	0.961	83	814
		12	A'	1012	993	0.981	83	815
		13	A'	884	848	0.960	83	816
		15	A'	258	271	1.052	83	817
		16	A"	3177	2992	0.942	83	818
		18	A"	1521	1451	0.954	83	819
		21	A"	907	892	0.983	83	820
		24	A"	127	135	1.064	83	821
C4H9N	Pyrrolidine	1	A'	3548	3356	0.946	84	822
		3	A'	3132	2927	0.934	84	823
		6	A'	1563	1484	0.949	84	824
		9	A'	1339	1273	0.951	84	825
		12	A'	1088	974	0.895	84	826
		14	A'	968	901	0.930	84	827
		15	A'	928	871	0.939	84	828
		17	A'	775	789	1.018	84	829
		18	A'	592	579	0.978	84	830
		20	A"	3149	2967	0.942	84	831
		21	A"	3129	2916	0.932	84	832
		23	A"	2995	2818	0.941	84	833
		26	A"	1455	1341	0.921	84	834
		29	A"	1261	1203	0.954	84	835
		32	A"	1125	1023	0.909	84	836
		34	A"	884	848	0.959	84	837
		35	A"	637	600	0.942	84	838
C4H8O2	1,4-Dioxane	2	Ag	3043	2856	0.939	85	839
		5	Ag	1353	1305	0.965	85	840
		8	Ag	883	837	0.948	85	841
		10	Ag	430	424	0.987	85	842
		11	Au	3151	2970	0.942	85	843
		13	Au	1508	1449	0.961	85	844
		14	Au	1417	1369	0.966	85	845
		16	Au	1215	1136	0.935	85	846
		17	Au	1128	1086	0.963	85	847
		19	Au	251	288	1.148	85	848
		22	Bg	1505	1459	0.970	85	849
		25	Bg	1211	1110	0.917	85	850
		28	Bu	3153	2970	0.942	85	851
		30	Bu	1519	1457	0.959	85	852
		31	Bu	1432	1378	0.962	85	853
		33	Bu	1084	1052	0.970	85	854
		34	Bu	938	889	0.948	85	855
		36	Bu	294	274	0.930	85	856
CO2	Carbon dioxide	2	Σu	2492	2349	0.942	86	857
		3	Πu	668	667	0.998	86	858
C5H8	Cyclopentene	2	A'	3151	2958	0.939	87	859
		3	A'	3116	2916	0.936	87	860
		5	A'	3061	2852	0.932	87	861
		6	A'	1728	1616	0.935	87	862
		8	A'	1509	1449	0.961	87	863
		9	A'	1351	1302	0.964	87	864
		11	A'	1140	1213	1.064	87	865
		14	A'	931	962	1.033	87	866
		17	A'	602	603	1.001	87	867
		20	A"	3113	2967	0.953	87	868
		22	A"	1516	1467	0.967	87	869
		23	A"	1402	1432	1.021	87	870
		25	A"	1315	1302	0.990	87	871
		26	A"	1240	1297	1.046	87	872
		28	A"	1059	1113	1.051	87	873
		29	A"	994	1082	1.088	87	874
		31	A"	902	800	0.887	87	875
C2H5N	Aziridine	2	A'	3249	3079	0.948	88	876
		3	A'	3158	3015	0.955	88	877
		5	A'	1326	1237	0.933	88	878
		8	A'	1020	998	0.978	88	879
		11	A"	3238	3079	0.951	88	880
		14	A"	1290	1268	0.983	88	881
		16	A"	1117	1095	0.980	88	882
		17	A"	948	904	0.953	88	883
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	2	A1	1712	1587	0.927	89	884
		5	A1	174	173	0.992	89	885
		8	B1	739	697	0.944	89	886
		10	B2	1341	1303	0.972	89	887
		11	B2	887	857	0.966	89	888
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	2	Ag	1717	1578	0.919	90	889
		5	Ag	357	350	0.980	90	890
		8	Bg	810	763	0.942	90	891
		10	Bu	1243	1200	0.965	90	892
		11	Bu	844	828	0.981	90	893
C4H6	Bicyclo[1.1.0]butane	2	A1	3210	3044	0.948	91	894
		3	A1	3104	2935	0.945	91	895
		5	A1	1341	1266	0.944	91	896
		6	A1	1127	1081	0.959	91	897
		8	A1	707	657	0.930	91	898
		9	A1	433	423	0.975	91	899
		11	A2	1087	1063	0.978	91	900
		14	B1	3278	3120	0.952	91	901
		17	B1	1018	980	0.962	91	902
		20	B2	3109	2969	0.955	91	903
		22	B2	1360	1261	0.927	91	904
		23	B2	1126	1081	0.960	91	905
C5H8	Spiropentane	3	A1	1125	1160	1.031	92	906
		6	A2	3240	3070	0.947	92	907
		9	B1	3239	3066	0.947	92	908
		11	B1	1035	888	0.858	92	909
		12	B1	288	300	1.043	92	910
		14	B2	1638	1521	0.928	92	911
		15	B2	1462	1415	0.968	92	912
		17	B2	956	872	0.912	92	913
		18	E	3251	3067	0.944	92	914
		19	E	3158	2985	0.945	92	915
		22	E	1082	1049	0.969	92	916
		25	E	296	308	1.039	92	917
C8H8	cubane	1	A1g	3204	2995	0.935	93	918
		3	A2u	3174	2978	0.938	93	919
		4	A2u	1033	839	0.813	93	920
		6	Eg	945	912	0.965	93	921
		7	Eu	1205	1151	0.955	93	922
C3H6S	Thietane	1	A'	3187	2994	0.939	94	923
		2	A'	3156	2972	0.942	94	924
		4	A'	3102	2903	0.936	94	925
		5	A'	1539	1470	0.955	94	926
		7	A'	1276	1224	0.959	94	927
		8	A'	1219	1183	0.971	94	928
		10	A'	967	933	0.965	94	929
		13	A'	533	529	0.992	94	930
		16	A"	3119	2950	0.946	94	931
		19	A"	1266	1229	0.971	94	932
		22	A"	1008	986	0.978	94	933
		24	A"	710	677	0.953	94	934
C3H4N2	1H-Pyrazole	1	A'	3690	3523	0.955	95	935
		2	A'	3327	3155	0.948	95	936
		4	A'	3274	3126	0.955	95	937
		5	A'	1616	1531	0.947	95	938
		7	A'	1468	1395	0.950	95	939
		10	A'	1221	1159	0.949	95	940
		13	A'	1073	1009	0.941	95	941
		16	A"	908	879	0.968	95	942
		18	A"	769	745	0.968	95	943
		19	A"	706	674	0.954	95	944
		21	A"	543	516	0.951	95	945
C3H3NO	Isoxazole	3	A'	3285	3086	0.939	96	946
		6	A'	1438	1432	0.996	96	947
		8	A'	1198	1217	1.016	96	948
		9	A'	1154	1128	0.978	96	949
		11	A'	988	1021	1.034	96	950
		12	A'	939	856	0.912	96	951
		14	A"	928	1033	1.113	96	952
		15	A"	905	889	0.982	96	953
		17	A"	664	632	0.952	96	954
C3H4N2	1H-Imidazole	1	A'	3689	3517	0.953	97	955
		3	A'	3288	3123	0.950	97	956
		4	A'	3283	3110	0.947	97	957
		6	A'	1550	1404	0.906	97	958
		7	A'	1478	1328	0.898	97	959
		9	A'	1297	1188	0.916	97	960
		10	A'	1200	1098	0.915	97	961
		12	A'	1120	1013	0.904	97	962
		15	A'	910	898	0.987	97	963
		18	A"	738	674	0.914	97	964
		21	A"	528	539	1.021	97	965
C3H3NO	Oxazole	1	A'	3328	3170	0.953	98	966
		3	A'	3292	3141	0.954	98	967
		4	A'	1639	1537	0.938	98	968
		6	A'	1401	1324	0.945	98	969
		7	A'	1286	1252	0.974	98	970
		9	A'	1164	1086	0.933	98	971
		10	A'	1133	1078	0.952	98	972
		12	A'	941	899	0.955	98	973
		15	A"	865	830	0.959	98	974
		18	A"	637	607	0.953	98	975
C2H3N3	1H-1,2,4-Triazole	2	A'	3312	3140	0.948	99	976
		3	A'	3301	3110	0.942	99	977
		5	A'	1513	1495	0.988	99	978
		6	A'	1445	1473	1.019	99	979
		8	A'	1297	1280	0.987	99	980
		9	A'	1221	1190	0.975	99	981
		11	A'	1120	1070	0.955	99	982
		12	A'	1004	965	0.961	99	983
		14	A"	930	990	1.065	99	984
		17	A"	692	660	0.954	99	985
CH2N4	1H-Tetrazole	2	A'	3340	3102	0.929	100	986
		3	A'	1564	1441	0.921	100	987
		5	A'	1370	1259	0.919	100	988
		8	A'	1119	1015	0.907	100	989
		11	A'	1002	925	0.923	100	990
		14	A"	704	658	0.935	100	991
C4H4N2	Pyridazine	1	A1	3256	3063	0.941	101	992
		3	A1	1671	1572	0.941	101	993
		6	A1	1188	1160	0.977	101	994
		9	A1	686	619	0.902	101	995
		12	A2	778	751	0.965	101	996
		14	B1	997			101	997
		15	B1	779	760	0.976	101	998
		17	B2	3244	3075	0.948	101	999
		18	B2	3225	3043	0.944	101	1000
		20	B2	1467	1444	0.984	101	1001
		21	B2	1335	1239	0.928	101	1002
		23	B2	1058	1009	0.953	101	1003
C4H4N2	1,3-Diazine	1	A1	3247	3082	0.949	102	1004
		4	A1	1677	1572	0.937	102	1005
		6	A1	1184	1155	0.976	102	1006
		7	A1	1099	1065	0.969	102	1007
		9	A1	699	679	0.972	102	1008
		10	A2	1011	960	0.949	102	1009
		12	B1	1038	1033	0.995	102	1010
		13	B1	994	980	0.986	102	1011
		15	B1	740	719	0.971	102	1012
		18	B2	1676	1569	0.936	102	1013
		21	B2	1281	1224	0.955	102	1014
		24	B2	634	621	0.980	102	1015
C4H4N2	Pyrazine	1	Ag	3229	3055	0.946	103	1016
		4	Ag	1072	1016	0.947	103	1017
		6	Au	1018	960	0.943	103	1018
		7	Au	361	350	0.969	103	1019
		9	B1u	3209	3012	0.939	103	1020
		10	B1u	1547	1483	0.958	103	1021
		12	B1u	1038	1018	0.981	103	1022
		13	B2g	1005	983	0.978	103	1023
		15	B2u	3223	3069	0.952	103	1024
		18	B2u	1115	1063	0.954	103	1025
		21	B3g	1386	1346	0.971	103	1026
		24	B3u	436	418	0.959	103	1027
C3H3N3	1,3,5-Triazine	1	A1'	3230	3042	0.942	104	1028
		2	A1'	1167	1132	0.970	104	1029
		4	A2'	1414	1278	0.904	104	1030
		5	A2'	1192	1068	0.896	104	1031
		7	A2"	765	737	0.963	104	1032
		8	E'	3225	3056	0.947	104	1033
		9	E'	1667	1555	0.933	104	1034
		12	E'	697	657	0.943	104	1035
N2H4	Hydrazine	1	A	3588	3398	0.947	105	1036
		2	A	3479	3329	0.957	105	1037
		4	A	1370	1275	0.931	105	1038
		7	A	465	377	0.811	105	1039
		10	B	1719	1628	0.947	105	1040
C2H5SC2H5	Diethyl sulfide	1	A1	3161	2967	0.939	106	1041
		2	A1	3085	2874	0.932	106	1042
		4	A1	1534	1450	0.945	106	1043
		5	A1	1521	1427	0.938	106	1044
		7	A1	1339	1270	0.948	106	1045
		8	A1	1121	1047	0.934	106	1046
		10	A1	725	657	0.906	106	1047
		13	A2	3172	2967	0.935	106	1048
		16	A2	1275			106	1049
		19	A2	240			106	1050
		22	B1	3131	2930	0.936	106	1051
		24	B1	1281	1242	0.969	106	1052
		25	B1	1070			106	1053
		27	B1	235			106	1054
		28	B1	43			106	1055
		30	B2	3087	2874	0.931	106	1056
		31	B2	3084	2853	0.925	106	1057
		33	B2	1512	1427	0.944	106	1058
		36	B2	1074	1017	0.947	106	1059
		39	B2	339	345	1.018	106	1060
CF2O	Carbonic difluoride	2	A1	1023	965	0.944	107	1061
		5	B2	1354	1249	0.922	107	1062
CF3CN	Acetonitrile, trifluoro-	2	A1	1293	1227	0.949	108	1063
		3	A1	842	802	0.953	108	1064
		5	E	1322	1214	0.919	108	1065
		8	E	193	196	1.014	108	1066
C2H4S	Thiirane	2	A1	1529	1457	0.953	109	1067
		5	A1	673	627	0.932	109	1068
		11	B1	833	824	0.989	109	1069
		14	B2	1092	1051	0.962	109	1070
CH3CF3	Ethane, 1,1,1-trifluoro-	1	A1	3114	2974	0.955	110	1071
		3	A1	1335	1278	0.957	110	1072
		6	A2	235	225	0.956	110	1073
		8	E	1514	1450	0.958	110	1074
		11	E	546	540	0.989	110	1075
		12	E	366	365	0.998	110	1076
C4H2	Diacetylene	2	Σg	2369	2184	0.922	111	1077
		4	Σu	3499	3329	0.951	111	1078
		5	Σu	2176	2020	0.928	111	1079
		7	Πg	656	482	0.734	111	1080
		8	Πu	692	630	0.910	111	1081
C2N2	Cyanogen	1	Σg	2531	2330	0.920	112	1082
		3	Σu	2345	2158	0.920	112	1083
		4	Πg	571	503	0.881	112	1084
		5	Πu	252	234	0.929	112	1085
CH2CCH2	allene	1	A1	3183	3015	0.947	113	1086
		4	B1	896	865	0.966	113	1087
		7	B2	1449	1398	0.965	113	1088
		9	E	1033	999	0.967	113	1089
		10	E	895	841	0.939	113	1090
CH2CO	Ketene	1	A1	3236	3070	0.949	114	1091
		2	A1	2292	2152	0.939	114	1092
		4	A1	1197	1118	0.934	114	1093
		5	B1	616	588	0.954	114	1094
		7	B2	3335	3166	0.949	114	1095
		8	B2	1006	977	0.971	114	1096
OCS	Carbonyl sulfide	1	Σ	2187	2062	0.943	115	1097
		3	Π	513	520	1.013	115	1098
C5H12	Propane, 2,2-dimethyl-	3	A1	753	733	0.973	116	1099
		7	E	1111	999	0.899	116	1100
		8	E	345	335	0.972	116	1101
		15	T2	1557	1475	0.948	116	1102
		16	T2	1430	1372	0.959	116	1103
		17	T2	1312	1256	0.957	116	1104
		18	T2	966	925	0.957	116	1105
		19	T2	430	418	0.973	116	1106
C6H6	Fulvene	1	A1	3287	3088	0.939	117	1107
		2	A1	3263	3051	0.935	117	1108
		4	A1	1759	1632	0.928	117	1109
		5	A1	1593	1486	0.933	117	1110
		7	A1	1393	1342	0.964	117	1111
		8	A1	1115	1082	0.971	117	1112
		10	A1	923	894	0.969	117	1113
		11	A1	678	641	0.945	117	1114
		13	A2	806			117	1115
		16	B1	991	926	0.934	117	1116
		19	B1	640	613	0.957	117	1117
		22	B2	3275	3104	0.948	117	1118
		24	B2	1676	1550	0.925	117	1119
		25	B2	1370	1314	0.959	117	1120
		27	B2	1119	1077	0.962	117	1121
		28	B2	975	952	0.976	117	1122
		30	B2	336	350	1.043	117	1123
CH3CCCH3	2-Butyne	1	A1'	3075	2916	0.948	118	1124
		2	A1'	2427	2240	0.923	118	1125
		4	A1'	739	725	0.981	118	1126
		7	A2"	1436	1382	0.962	118	1127
		8	A2"	1191	1152	0.968	118	1128
		11	E'	1076	1054	0.980	118	1129
		14	E"	1511	1448	0.958	118	1130
		15	E"	1056	1029	0.974	118	1131
C3H6O	Oxetane	3	A1	1580	1473	0.932	119	1132
		5	A1	1409	1342	0.952	119	1133
		6	A1	1094	1134	1.037	119	1134
		8	A1	817	908	1.112	119	1135
		9	A2	3132	3000	0.958	119	1136
		11	A2	1185	1185	1.000	119	1137
		12	A2	836	986	1.180	119	1138
		14	B1	3132	2940	0.939	119	1139
		17	B1	771	836	1.084	119	1140
		20	B2	1547	1508	0.975	119	1141
		23	B2	1117	1228	1.099	119	1142
C3O2	Carbon suboxide	1	Σg	2353	2196	0.933	120	1143
		2	Σg	804	786	0.977	120	1144
		4	Σu	1705	1573	0.922	120	1145
		5	Πg	603	573	0.950	120	1146
		6	Πu	619	550	0.888	120	1147
ClCN	chlorocyanogen	1	Σ	2402	2216	0.923	121	1148
		2	Σ	769	744	0.968	121	1149
C5H10	2-Butene, 2-methyl-	2	A'	3172	2972	0.937	122	1150
		3	A'	3162	2972	0.940	122	1151
		5	A'	3070	2931	0.955	122	1152
		6	A'	3066	2908	0.948	122	1153
		8	A'	1808	1681	0.930	122	1154
		11	A'	1513	1453	0.960	122	1155
		25	A"	3124	2972	0.951	122	1156
		26	A"	3123	2972	0.952	122	1157
		28	A"	1519	1471	0.968	122	1158
		29	A"	1511	1471	0.973	122	1159
C5H6	1,3-Cyclopentadiene	3	A1	3073	2886	0.939	123	1160
		6	A1	1424	1365	0.958	123	1161
		8	A1	1032	994	0.963	123	1162
		9	A1	949	915	0.965	123	1163
		11	A2	1141	1100	0.964	123	1164
		12	A2	986	941	0.955	123	1165
		14	A2	525	516	0.983	123	1166
		15	B1	3108	2900	0.933	123	1167
		17	B1	935	891	0.953	123	1168
		20	B2	3273	3105	0.949	123	1169
		23	B2	1343	1292	0.962	123	1170
		26	B2	993	959	0.966	123	1171
CH3COF	Acetyl fluoride	1	A'	3222	3043	0.945	124	1172
		4	A'	1496	1440	0.963	124	1173
		7	A'	1026	1000	0.974	124	1174
		10	A'	413	420	1.017	124	1175
		13	A"	1081	1054	0.975	124	1176
		15	A"	75	123	1.638	124	1177
CH2CHCHClCH3	1-Butene, 3-chloro-	3	A	3188	3011	0.945	125	1178
		5	A	3166	2974	0.939	125	1179
		6	A	3147	2967	0.943	125	1180
		8	A	1761	1645	0.934	125	1181
		9	A	1524	1452	0.953	125	1182
		11	A	1480	1424	0.962	125	1183
		12	A	1434	1375	0.959	125	1184
		14	A	1323	1283	0.970	125	1185
		15	A	1284	1233	0.960	125	1186
		17	A	1131	1090	0.964	125	1187
		20	A	989	966	0.976	125	1188
		23	A	738	708	0.960	125	1189
		26	A	327	319	0.974	125	1190
		28	A	287	283	0.986	125	1191
		29	A	257	245	0.953	125	1192
CH3CHCHCH3	2-Butene, (Z)-	3	A1	3079	2878	0.935	126	1193
		6	A1	1449	1397	0.964	126	1194
		8	A1	1037	986	0.951	126	1195
		9	A1	892	880	0.987	126	1196
		11	A2	3133	2988	0.954	126	1197
		12	A2	1513	1464	0.968	126	1198
		14	A2	1016	880	0.866	126	1199
		15	A2	391	396	1.013	126	1200
		17	B1	3134	2965	0.946	126	1201
		20	B1	693	673	0.971	126	1202
		23	B2	3156	2965	0.939	126	1203
		26	B2	1466	1420	0.968	126	1204
		28	B2	1168	1135	0.972	126	1205
		29	B2	1001	986	0.985	126	1206
CH2CCHCH3	1,2-Butadiene	1	A'	3181	3061	0.962	127	1207
		3	A'	3167	2965	0.936	127	1208
		4	A'	3080	2905	0.943	127	1209
		6	A'	1539	1453	0.944	127	1210
		9	A'	1382	1330	0.962	127	1211
		12	A'	902	876	0.971	127	1212
		15	A'	213	210	0.987	127	1213
		17	A"	3145	2965	0.943	127	1214
		18	A"	1516	1453	0.959	127	1215
		20	A"	1036	1011	0.976	127	1216
		21	A"	903	842	0.932	127	1217
		23	A"	353	322	0.913	127	1218
CH3F	Methyl fluoride	1	A1	3084	2930	0.950	128	1219
		2	A1	1536	1464	0.953	128	1220
		4	E	3166	3006	0.950	128	1221
CH3PH2	Methyl phosphine	2	A'	3094	2938	0.950	129	1222
		5	A'	1361	1238	0.909	129	1223
		7	A'	1011	977	0.967	129	1224
		8	A'	748	740	0.989	129	1225
		10	A"	3181	2992	0.941	129	1226
		11	A"	2486	2312	0.930	129	1227
		13	A"	1053	1017	0.966	129	1228
C5H8	1,2-Butadiene, 3-methyl-	1	A1	3185	2987	0.938	130	1229
		3	A1	3074	2916	0.949	130	1230
		4	A1	2120	1996	0.942	130	1231
		6	A1	1503	1438	0.957	130	1232
		7	A1	1439	1369	0.952	130	1233
		9	A1	1044	973	0.932	130	1234
		10	A1	757	726	0.960	130	1235
		12	A2	3132	2941	0.939	130	1236
		15	A2	628	617	0.982	130	1237
		18	B1	3133	2941	0.939	130	1238
		21	B1	1039	1004	0.966	130	1239
		26	B2	3071	2916	0.949	130	1240
		27	B2	1516	1470	0.969	130	1241
		29	B2	1251	1191	0.952	130	1242
		30	B2	985	968	0.982	130	1243
		32	B2	620	554	0.894	130	1244
		33	B2	185	187	1.012	130	1245
CH3NO3	Methyl nitrate	1	A'	3224	3008	0.933	131	1246
		4	A'	1533	1468	0.958	131	1247
		7	A'	1217	1176	0.966	131	1248
		10	A'	712	657	0.922	131	1249
		13	A"	3215	3008	0.936	131	1250
		15	A"	1193	1136	0.952	131	1251
		16	A"	812	758	0.933	131	1252
		18	A"	145			131	1253
C5H6S	Thiophene, 3-methyl-	2	A'	3277	3104	0.947	132	1254
		5	A'	3076	2923	0.950	132	1255
		7	A'	1530	1447	0.946	132	1256
		8	A'	1505	1407	0.935	132	1257
		10	A'	1430	1373	0.960	132	1258
		11	A'	1264	1234	0.976	132	1259
		13	A'	1113	1080	0.971	132	1260
		14	A'	1024	993	0.969	132	1261
		16	A'	883	857	0.971	132	1262
		17	A'	845	830	0.982	132	1263
		19	A'	549	542	0.988	132	1264
		22	A"	1517	1452	0.957	132	1265
		25	A"	804	762	0.948	132	1266
		28	A"	463	464	1.002	132	1267
		30	A"	91			132	1268
CH3CHCHCH3	2-Butene, (E)-	3	Ag	3074	2874	0.935	133	1269
		5	Ag	1525	1457	0.955	133	1270
		6	Ag	1446	1385	0.958	133	1271
		8	Ag	1186	1146	0.967	133	1272
		9	Ag	898	866	0.964	133	1273
		11	Au	3136	2960	0.944	133	1274
		12	Au	1513	1449	0.958	133	1275
		14	Au	1016	964	0.949	133	1276
		17	Bg	3136	2954	0.942	133	1277
		20	Bg	765	750	0.981	133	1278
		23	Bu	3151	2960	0.939	133	1279
		25	Bu	1532	1449	0.946	133	1280
		26	Bu	1445	1393	0.964	133	1281
		28	Bu	1113	1072	0.963	133	1282
		29	Bu	998	987	0.989	133	1283
CH3SCH2CH3	Ethane, (methylthio)-	2	A'	3162	2957	0.935	134	1284
		3	A'	3084	2920	0.947	134	1285
		5	A'	3080	2830	0.919	134	1286
		8	A'	1511	1427	0.944	134	1287
		11	A'	1321	1262	0.955	134	1288
		14	A'	983	968	0.985	134	1289
		16	A'	707	654	0.924	134	1290
		17	A'	352	353	1.001	134	1291
		19	A"	3168	2991	0.944	134	1292
		20	A"	3165	2957	0.934	134	1293
		22	A"	1524	1449	0.951	134	1294
		23	A"	1503	1435	0.955	134	1295
		25	A"	1061			134	1296
		28	A"	236			134	1297
CH3ONO	Methyl nitrite	3	A'	1784	1613	0.904	135	1298
		6	A'	1218	1239	1.017	135	1299
		8	A'	941	838	0.891	135	1300
		9	A'	787	627	0.797	135	1301
		11	A"	3184	2991	0.939	135	1302
		12	A"	1514	1438	0.950	135	1303
		14	A"	384			135	1304
		15	A"	237	186	0.784	135	1305
CH3SSCH3	Disulfide, dimethyl	1	A	3204	2990	0.933	136	1306
		3	A	3096	2913	0.941	136	1307
		4	A	1510	1426	0.944	136	1308
		6	A	1392	1311	0.942	136	1309
		7	A	998	955	0.956	136	1310
		9	A	725	694	0.958	136	1311
		10	A	527	509	0.965	136	1312
		12	A	178	134	0.752	136	1313
		15	B	3186	2983	0.936	136	1314
		18	B	1491	1415	0.949	136	1315
		21	B	984	949	0.964	136	1316
		23	B	267	274	1.025	136	1317
		24	B	204	134	0.657	136	1318
C6H10	2-Hexyne	1	A'	3157	2972	0.941	137	1319
		3	A'	3094	2931	0.947	137	1320
		4	A'	3077	2919	0.949	137	1321
		6	A'	3067	2880	0.939	137	1322
		7	A'	2417	2188	0.905	137	1323
		9	A'	1522	1447	0.951	137	1324
		10	A'	1509	1435	0.951	137	1325
		12	A'	1445	1390	0.962	137	1326
		15	A'	1318	1282	0.973	137	1327
		18	A'	1074	1036	0.965	137	1328
		21	A'	780	739	0.947	137	1329
		23	A'	343	359	1.047	137	1330
		24	A'	282	272	0.965	137	1331
		26	A"	3156	2972	0.942	137	1332
		27	A"	3149	2995	0.951	137	1333
		29	A"	3102	2937	0.947	137	1334
		30	A"	1531	1453	0.949	137	1335
		32	A"	1336	1394	1.044	137	1336
		35	A"	1063	1032	0.971	137	1337
		38	A"	397	392	0.987	137	1338
		41	A"	85	88	1.035	137	1339
C3H7N	Cyclopropylamine	3	A'	3181	3032	0.953	138	1340
		6	A'	1545	1456	0.942	138	1341
		8	A'	1268	1214	0.957	138	1342
		9	A'	1202	1168	0.971	138	1343
		11	A'	1037	1020	0.984	138	1344
		12	A'	880	989	1.123	138	1345
		14	A'	776	762	0.981	138	1346
		15	A'	416	408	0.981	138	1347
		17	A"	3264	3100	0.950	138	1348
		20	A"	1291	1104	0.855	138	1349
		23	A"	1079	940	0.871	138	1350
		26	A"	408	396	0.971	138	1351
C6H8	1,3,5-Hexatriene, (E)-	1	Ag	3280	3085	0.941	139	1352
		2	Ag	3191	3054	0.957	139	1353
		4	Ag	3172	2989	0.942	139	1354
		5	Ag	1763	1627	0.923	139	1355
		7	Ag	1457	1400	0.961	139	1356
		10	Ag	1231	1192	0.968	139	1357
		13	Ag	350	355	1.014	139	1358
		16	Au	958	901	0.941	139	1359
		19	Au	92	90	0.982	139	1360
		21	Bg	961	928	0.965	139	1361
		22	Bg	908	872	0.960	139	1362
		24	Bg	209	217	1.037	139	1363
		25	Bu	3280	3099	0.945	139	1364
		27	Bu	3181	3019	0.949	139	1365
		28	Bu	3172	2953	0.931	139	1366
		30	Bu	1486	1432	0.964	139	1367
		33	Bu	1171	1186	1.013	139	1368
		36	Bu	146	170	1.164	139	1369
C4H6	Cyclobutene	3	A1	1688	1570	0.930	140	1370
		6	A1	1157	1186	1.025	140	1371
		9	A2	3134	2955	0.943	140	1372
		11	A2	1050	1081	1.029	140	1373
		12	A2	945	850	0.899	140	1374
		14	B1	3146	2955	0.939	140	1375
		15	B1	1119	1074	0.960	140	1376
		17	B1	635	635	1.001	140	1377
		18	B2	3208	3047	0.950	140	1378
		20	B2	1495	1427	0.955	140	1379
		21	B2	1349	1294	0.959	140	1380
		23	B2	927	888	0.958	140	1381
H2CS	Thioformaldehyde	1	A1	3132	2971	0.949	141	1382
		3	A1	1138	1059	0.931	141	1383
		4	B1	1051	990	0.942	141	1384
		6	B2	1021	991	0.970	141	1385
CH3SiH3	methyl silane	2	A1	2246	2166	0.965	142	1386
		3	A1	1324	1260	0.952	142	1387
		5	A1	703	700	0.995	142	1388
		9	E	1496	1403	0.938	142	1389
		12	E	497	540	1.087	142	1390
C4N2	2-Butynedinitrile	1	Σg	2494	2290	0.918	143	1391
		3	Σg	623	692	1.110	143	1392
		4	Σu	2436	2241	0.920	143	1393
		6	Πg	564	504	0.894	143	1394
		9	Πu	118	107	0.906	143	1395
BeO	beryllium oxide	1	Σ	1619	1457	0.900	144	1396
LiOH	lithium hydroxide	1	Σ	4017	3688	0.918	145	1397
		3	Π	276	257	0.931	145	1398
NaOH	sodium hydroxide	2	Σ	621	540	0.870	146	1399
H2	Hydrogen diatomic	1	Σg	4523	4401	0.973	147	1400
Si2H6	disilane	2	A1g	922	909	0.986	148	1401
		5	A2u	2231	2154	0.966	148	1402
		9	Eg	625	625	1.001	148	1403
		10	Eu	2253	2179	0.967	148	1404
		12	Eu	334	379	1.137	148	1405
CCl2	dichloromethylene	1	A1	725	730	1.006	149	1406
C5H10S	2H-Thiopyran, tetrahydro-	1	A'	3148	2948	0.936	150	1407
		2	A'	3124	2929	0.938	150	1408
		4	A'	3076	2904	0.944	150	1409
		7	A'	1522	1451	0.954	150	1410
		10	A'	1403	1348	0.961	150	1411
		13	A'	1258	1215	0.966	150	1412
		15	A'	1048	965	0.921	150	1413
		16	A'	989	897	0.907	150	1414
		18	A'	838	813	0.971	150	1415
		19	A'	683	656	0.961	150	1416
		21	A'	362	359	0.992	150	1417
		22	A'	344	344	1.001	150	1418
		24	A"	3150	2948	0.936	150	1419
		27	A"	3071	2878	0.937	150	1420
		30	A"	1412	1338	0.947	150	1421
		33	A"	1305	1259	0.965	150	1422
		35	A"	1119	1090	0.974	150	1423
		36	A"	1108	1013	0.914	150	1424
		38	A"	920	905	0.984	150	1425
		39	A"	803	791	0.985	150	1426
		41	A"	400	398	0.995	150	1427
		42	A"	233	242	1.039	150	1428
C3H5	Allyl radical	1	A1	3294	3114	0.945	151	1429
		4	A1	1552	1488	0.959	151	1430
		6	A1	1055	1066	1.010	151	1431
		7	A1	428	427	0.998	151	1432
		9	A2	563	549	0.976	151	1433
		12	B1	541	518	0.957	151	1434
		15	B2	1522	1463	0.961	151	1435
C5H8	1,3-Pentadiene, (E)-	1	A'	3277	3090	0.943	152	1436
		2	A'	3188	3015	0.946	152	1437
		4	A'	3180	3015	0.948	152	1438
		7	A'	3064	2919	0.953	152	1439
		10	A'	1521	1433	0.942	152	1440
		13	A'	1348	1316	0.976	152	1441
		15	A'	1302	1280	0.983	152	1442
		16	A'	1223	1166	0.953	152	1443
		18	A'	996	985	0.989	152	1444
		19	A'	917	862	0.940	152	1445
		21	A'	451	418	0.927	152	1446
		22	A'	193	212	1.098	152	1447
		24	A"	1507	1453	0.964	152	1448
		25	A"	1078	1017	0.943	152	1449
		27	A"	1003	912	0.909	152	1450
		30	A"	659	615	0.933	152	1451
CH2NH	Methanimine	2	A'	3190	3024	0.948	153	1452
		3	A'	3096	2914	0.941	153	1453
		5	A'	1523	1452	0.954	153	1454
		6	A'	1389	1344	0.968	153	1455
		8	A"	1185	1127	0.951	153	1456
CN	Cyano radical	1	Σ	2250	2069	0.920	154	1457
CF2	Difluoromethylene	3	B2	1209	1114	0.922	155	1458
CF3	Trifluoromethyl radical	1	A1	1141	1089	0.955	156	1459
C4H9N	Cyclobutylamine	2	A'	3180	2975	0.935	157	1460
		5	A'	3100	2905	0.937	157	1461
		8	A'	1532	1467	0.958	157	1462
		11	A'	1311	1291	0.985	157	1463
		13	A'	1181	1137	0.963	157	1464
		14	A'	1107	1120	1.012	157	1465
		16	A'	909	965	1.061	157	1466
		17	A'	904	788	0.871	157	1467
		19	A'	663	606	0.914	157	1468
		20	A'	406	448	1.102	157	1469
		22	A"	3581	3411	0.952	157	1470
		25	A"	1492	1452	0.973	157	1471
		28	A"	1270	1168	0.919	157	1472
		31	A"	1040	925	0.890	157	1473
		34	A"	772	788	1.021	157	1474
		36	A"	301	240	0.798	157	1475
SF6	Sulfur Hexafluoride	1	A1g	793	774	0.975	158	1476
HCO	Formyl radical	2	A'	2026	1868	0.922	159	1477
ClNO	Nitrosyl chloride	2	A'	633	596	0.941	160	1478
		3	A'	347	332	0.956	160	1479
C3H4	cyclopropene	2	A1	3101	2909	0.938	161	1480
		5	A1	1208	1110	0.919	161	1481
		8	A2	887	820	0.924	161	1482
		11	B1	619	569	0.919	161	1483
		13	B2	1101	1043	0.948	161	1484
		14	B2	1047	1011	0.966	161	1485
C4H8O	Cyclobutanol	2	A'	3176	2993	0.942	162	1486
		5	A'	3110	2943	0.946	162	1487
		7	A'	1546	1469	0.951	162	1488
		8	A'	1515	1450	0.957	162	1489
		10	A'	1366	1278	0.936	162	1490
		11	A'	1287	1241	0.965	162	1491
		13	A'	1194	1097	0.919	162	1492
		14	A'	1104	1071	0.970	162	1493
		16	A'	923	825	0.894	162	1494
		19	A'	467	457	0.980	162	1495
		22	A"	3086	2964	0.960	162	1496
		25	A"	1266	1199	0.947	162	1497
		27	A"	1202	1029	0.856	162	1498
		28	A"	1066	958	0.899	162	1499
		30	A"	942	902	0.958	162	1500
		31	A"	791	781	0.987	162	1501
		33	A"	346	243	0.702	162	1502
C3H3	Propargyl radical	1	A1	3492	3322	0.951	163	1503
		7	B1	516	490	0.949	163	1504
OH	Hydroxyl radical	1	Σ	3706	3738	1.008	164	1505
NF2	Difluoroamino radical	2	A1	610	573	0.940	165	1506
CCl	carbon monochloride	1	Σ	853	877	1.028	166	1507
SiH2Cl2	dichlorosilane	2	A1	969	954	0.985	167	1508
		5	A2	737	710	0.964	167	1509
		8	B2	911	876	0.961	167	1510
CHOCHCHCH3	2-Butenal	2	A'	3183	2995	0.941	168	1511
		3	A'	3164	2963	0.937	168	1512
		5	A'	2966	2805	0.946	168	1513
		6	A'	1866	1720	0.922	168	1514
		8	A'	1514	1455	0.961	168	1515
		11	A'	1338	1304	0.975	168	1516
		14	A'	1119	1074	0.960	168	1517
		17	A'	462	464	1.004	168	1518
		19	A"	3135	2980	0.951	168	1519
		20	A"	1511	1455	0.963	168	1520
		22	A"	1042	973	0.933	168	1521
		23	A"	1021	928	0.909	168	1522
		25	A"	298	295	0.990	168	1523
		26	A"	197	173	0.880	168	1524
C4H5N	Cyclopropanecarbonitrile	1	A'	3290	3120	0.948	169	1525
		3	A'	3194	3044	0.953	169	1526
		4	A'	2429	2264	0.932	169	1527
		6	A'	1409	1344	0.954	169	1528
		7	A'	1246	1195	0.959	169	1529
		9	A'	1087	1049	0.965	169	1530
		12	A'	778	736	0.947	169	1531
		15	A"	3279	3094	0.944	169	1532
		18	A"	1211	1180	0.974	169	1533
		20	A"	1099	1088	0.990	169	1534
		21	A"	952	880	0.924	169	1535
		23	A"	564	543	0.964	169	1536
		24	A"	219	222	1.015	169	1537
C4H6	Methylenecyclopropane	2	A1	3154	3002	0.952	170	1538
		5	A1	1469	1410	0.960	170	1539
		8	A1	779	723	0.928	170	1540
		11	A2	969	937	0.967	170	1541
		13	B1	3241	3071	0.948	170	1542
		14	B1	1111	1072	0.965	170	1543
		16	B1	750	748	0.997	170	1544
		17	B1	293	360	1.231	170	1545
		19	B2	3154	2999	0.951	170	1546
		20	B2	1473	1353	0.918	170	1547
		22	B2	1081	1125	1.041	170	1548
C5H12S	Propane, 2-methyl-2-(methylthio)-	1	A'	3189	2967	0.930	171	1549
		2	A'	3168	2967	0.936	171	1550
		4	A'	3149	2967	0.942	171	1551
		7	A'	3074	2875	0.935	171	1552
		10	A'	1515	1445	0.954	171	1553
		13	A'	1426	1364	0.957	171	1554
		15	A'	1273	1210	0.950	171	1555
		16	A'	1222	1161	0.950	171	1556
		18	A'	989			171	1557
		19	A'	966	932	0.965	171	1558
		21	A'	747	722	0.966	171	1559
		22	A'	610	588	0.963	171	1560
		24	A'	374	367	0.982	171	1561
		27	A'	238	226	0.950	171	1562
		30	A"	3160	2967	0.939	171	1563
		33	A"	1538	1460	0.949	171	1564
		35	A"	1508	1445	0.958	171	1565
		36	A"	1496	1435	0.959	171	1566
		38	A"	1269	1181	0.931	171	1567
		39	A"	1059	1026	0.968	171	1568
		41	A"	980	952	0.972	171	1569
		42	A"	954	932	0.977	171	1570
		44	A"	326	305	0.937	171	1571
		45	A"	289			171	1572
		47	A"	168			171	1573
HCP	HCP	1	Σ	3386	3217	0.950	172	1574
		3	Π	759	674	0.889	172	1575
HNC	hydrogen isocyanide	1	Σ	3865	3653	0.945	173	1576
		2	Σ	2155	2029	0.942	173	1577
SO2	Sulfur dioxide	2	A1	529	518	0.979	174	1578
		3	B2	1429	1362	0.953	174	1579
SO3	Sulfur trioxide	2	A2"	486	498	1.024	175	1580
		4	E'	521	530	1.017	175	1581
AlCl3	Aluminum trichloride	1	A1'	391	375	0.959	176	1582
		2	A2"	196	183	0.933	176	1583
		4	E'	143	150	1.049	176	1584
LiCl	lithium chloride	1	Σ	629	643	1.022	177	1585
C2Cl2	dichloroacetylene	3	Σu	1029	988	0.960	178	1586
		5	Πu	188	172	0.915	178	1587
LiH	Lithium Hydride	1	Σ	1420	1405	0.990	179	1588
ClFO3	Perchloryl fluoride	1	A1	1066	1061	0.995	180	1589
		3	A1	542	549	1.012	180	1590
		5	E	570	589	1.033	180	1591
SiO2	silicon dioxide	3	Πu	293	273	0.930	181	1592
BF3	Borane, trifluoro-	2	A2"	693	691	0.997	182	1593
		4	E'	481	480	0.998	182	1594
HCl	Hydrogen chloride	1	Σ	3009	2991	0.994	183	1595
NaCl	Sodium Chloride	1	Σ	352	365	1.035	184	1596
PF5	Phosphorus pentafluoride	1	A1'	831	816	0.982	185	1597
		3	A2"	1041	947	0.910	185	1598
		4	A2"	563	575	1.021	185	1599
		7	E'	181	174	0.960	185	1600
NH3	Ammonia	3	E	3621	3444	0.951	186	1601
H2SO4	Sulfuric acid	3	A	1189	1136	0.955	187	1602
		5	A	545	548	1.006	187	1603
		6	A	429	422	0.983	187	1604
		8	A	234	224	0.957	187	1605
		9	B	3767	3567	0.947	187	1606
		11	B	1205	1157	0.960	187	1607
		12	B	920	882	0.958	187	1608
		14	B	490	506	1.033	187	1609
		15	B	308	288	0.933	187	1610
MgH2	magnesium dihydride	2	Σu	1661	1572	0.946	188	1611
		3	Πu	427	440	1.029	188	1612
HNO3	Nitric acid	1	A'	3725	3550	0.953	189	1613
		4	A'	1401	1325	0.945	189	1614
		7	A'	622	579	0.931	189	1615
PCl3	Phosphorus trichloride	3	E	516	482	0.934	190	1616
		4	E	184	198	1.075	190	1617
H2O2	Hydrogen peroxide	2	A	1501	1402	0.934	191	1618
		5	B	3786	3608	0.953	191	1619
H2O	Water	1	A1	3812	3657	0.959	192	1620
Cl2	Chlorine diatomic	1	Σg	563	560	0.994	193	1621
HNO2	Nitrous acid	2	A'	1864	1700	0.912	194	1622
		5	A'	711	596	0.838	194	1623
H2S	Hydrogen sulfide	1	A1	2763	2615	0.946	195	1624
		2	A1	1261	1183	0.938	195	1625
F2O	Difluorine monoxide	2	A1	522	461	0.884	196	1626
		3	B2	1042	831	0.797	196	1627
NF3	Nitrogen trifluoride	2	A1	693	647	0.934	197	1628
		3	E	1052	907	0.862	197	1629
		4	E	524	492	0.939	197	1630
PF3	Phosphorus trifluoride	3	E	921	860	0.934	198	1631
		4	E	334	344	1.031	198	1632
AlF3	Aluminum trifluoride	1	A1'	733	690	0.942	199	1633
		2	A2"	300	297	0.992	199	1634
		4	E'	263	263	1.002	199	1635
AlH3	aluminum trihydride	1	A1'	1959	1900	0.970	200	1636
		3	E'	1973	1883	0.954	200	1637
H2CO	Formaldehyde	3	A1	1571	1500	0.955	201	1638
		6	B2	1291	1249	0.967	201	1639
C3H4O2	β–Propiolactone	3	A'	2006	1882	0.938	202	1640
		6	A'	1379	1319	0.956	202	1641
		14	A"	3218	3028	0.941	202	1642
		17	A"	1178	1139	0.967	202	1643
		20	A"	523	490	0.937	202	1644
CH3CH2OH	Ethanol	2	A'	3171	2984	0.941	203	1645
		5	A'	1564	1490	0.953	203	1646
		8	A'	1427	1371	0.961	203	1647
		11	A'	1061	1028	0.969	203	1648
		19	A"	824	812	0.986	203	1649
HCOOH	Formic acid	2	A'	3153	2943	0.933	204	1650
		5	A'	1348	1229	0.912	204	1651
CH3COOH	Acetic acid	3	A'	3099	2944	0.950	205	1652
		6	A'	1447	1382	0.955	205	1653
		9	A'	1014	989	0.975	205	1654
		17	A"	551	534	0.969	205	1655
CH3OH	Methyl alcohol	1	A'	3842	3681	0.958	206	1656
		4	A'	1547	1477	0.955	206	1657
		7	A'	1138	1060	0.931	206	1658
CH3COCH3	Acetone	2	A1	3088	2937	0.951	207	1659
		10	A2	1498	1426	0.952	207	1660
		13	B1	3158	2972	0.941	207	1661
		16	B1	481	484	1.005	207	1662
		19	B2	3083	2937	0.953	207	1663
		22	B2	1261	1216	0.964	207	1664
		2	A'	3130	2937	0.938	207	1665
		10	A'	816	1426	1.748	207	1666
		13	A'	152	2972	19.520	207	1667
		16	A"	3035	484	0.159	207	1668
		19	A"	1399	2937	2.099	207	1669
		22	A"	964	1216	1.261	207	1670
CHCl3	Chloroform	3	A1	379	366	0.965	208	1671
		5	E	805	774	0.961	208	1672
C2H6O2S	Dimethyl sulfone	4	A1	1392	1337	0.961	209	1673
		7	A1	707	703	0.994	209	1674
		10	A2	3223	3024	0.938	209	1675
		13	A2	289	326	1.127	209	1676
		16	B1	1500	1428	0.952	209	1677
		24	B2	1372	1322	0.963	209	1678
		27	B2	450	465	1.033	209	1679
C6H6	Benzene	1	A1g	3235	3062	0.947	210	1680
		4	A2u	695	673	0.968	210	1681
		7	B2g	1033	995	0.963	210	1682
		16	E2g	1698	1596	0.940	210	1683
		19	E2u	996	975	0.979	210	1684
CH3CCl3	Ethane, 1,1,1-trichloro-	1	A1	3103	2951	0.951	211	1685
		8	E	1506	1457	0.968	211	1686
		11	E	353	351	0.993	211	1687
CH4	Methane	2	E	1603	1534	0.957	212	1688
C2H6	Ethane	1	A1g	3077	2896	0.941	213	1689
		8	Eg	1534	1468	0.957	213	1690
		11	Eu	1537	1460	0.950	213	1691
C2H4	Ethylene	1	Ag	3199	3026	0.946	214	1692
		4	Au	1082	1023	0.945	214	1693
		7	B2g	994	940	0.945	214	1694
		10	B3g	3260	3086	0.947	214	1695
C2H2	Acetylene	3	Σu	3446	3289	0.955	215	1696
		5	Πu	805	730	0.907	215	1697
CH3Cl	Methyl chloride	1	A1	3124	2966	0.950	216	1698
		4	E	3227	3042	0.943	216	1699
CH3NH2	methyl amine	3	A'	3031	2820	0.930	217	1700
		6	A'	1485	1430	0.963	217	1701
		9	A'	892	780	0.874	217	1702
		12	A"	1548	1485	0.959	217	1703
HCN	Hydrogen cyanide	3	Π	799	712	0.891	218	1704
CH3SH	Methanethiol	2	A'	3105	2931	0.944	219	1705
		5	A'	1399	1335	0.954	219	1706
		8	A'	744	708	0.952	219	1707
C3H8	Propane	5	A1	1524	1462	0.960	220	1708
		8	A1	902	869	0.963	220	1709
		11	A2	1526	1451	0.951	220	1710
		14	A2	231	216	0.935	220	1711
		17	B1	1545	1472	0.952	220	1712
		20	B1	287	268	0.933	220	1713
CH3CCH	propyne	2	A1	3081	2918	0.947	221	1714
		5	A1	961	931	0.969	221	1715
		7	E	1509	1452	0.962	221	1716
		10	E	358	328	0.916	221	1717
CH3CH2Cl	Ethyl chloride	2	A'	3134	2946	0.940	222	1718
		10	A'	699	677	0.968	222	1719
		13	A"	3179	2986	0.939	222	1720
		16	A"	1095	974	0.890	222	1721
CH2CHCl	Ethene, chloro-	2	A'	3253	3086	0.949	223	1722
		5	A'	1425	1368	0.960	223	1723
		8	A'	729	720	0.987	223	1724
		11	A"	941	896	0.952	223	1725
CH2CHF	Ethene, fluoro-	8	A'	964	929	0.963	224	1726
		11	A"	908	863	0.950	224	1727
CH3CH2NH2	Ethylamine	3	A'	3092	2840	0.918	225	1728
		11	A'	1101	1086	0.986	225	1729
		14	A'	407	403	0.990	225	1730
		17	A"	3127	2906	0.929	225	1731
		20	A"	1288	1293	1.004	225	1732
		23	A"	314	259	0.824	225	1733
CH3CN	Acetonitrile	3	A1	1433	1385	0.966	226	1734
		7	E	1074	1041	0.969	226	1735
CH3CHO	Acetaldehyde	5	A'	1492	1433	0.960	227	1736
		8	A'	1142	1114	0.976	227	1737
		11	A"	3153	2964	0.940	227	1738
		14	A"	778	764	0.982	227	1739
CH3CH2SH	ethanethiol	1	A'	3165	2966	0.937	228	1740
		4	A'	2688	2580	0.960	228	1741
		7	A'	1442	1385	0.961	228	1742
		15	A"	3159	2930	0.928	228	1743
		18	A"	1065	1049	0.985	228	1744
CH2Cl2	Methylene chloride	1	A1	3185	2999	0.941	229	1745
CH2F2	Methane, difluoro-	6	B1	3182	3014	0.947	230	1746
		9	B2	1192	1090	0.915	230	1747
CHONH2	formamide	6	A'	1449	1390	0.960	231	1748
		9	A'	571	581	1.017	231	1749
		12	A"	150	289	1.925	231	1750
HNCO	Isocyanic acid	1	A'	3727	3538	0.949	232	1751
		4	A'	771	777	1.008	232	1752
CS2	Carbon disulfide	3	Πu	407	397	0.975	233	1753
CH3SCH3	Dimethyl sulfide	1	A1	3190	2998	0.940	234	1754
		4	A1	1409	1331	0.945	234	1755
		7	A1	262	282	1.075	234	1756
		15	B1	196	182	0.928	234	1757
		18	B2	1513	1444	0.955	234	1758
		21	B2	781	743	0.951	234	1759
C3H6	Cyclopropane	4	A1"	1160	1126	0.970	235	1760
		7	A2"	862	854	0.991	235	1761
		9	E'	1495	1438	0.962	235	1762
		12	E"	3254	3082	0.947	235	1763
C2H4O	Ethylene oxide	2	A1	1579	1498	0.948	236	1764
		5	A1	945	877	0.928	236	1765
CH3CH(CH3)CH3	Isobutane	1	A1	3142	2962	0.943	237	1766
		4	A1	1542	1477	0.958	237	1767
		12	A2	177	198	1.120	237	1768
		14	E	3135	2962	0.945	237	1769
		17	E	1515	1475	0.973	237	1770
		24	E	245			237	1771
CH3CHClCH3	Propane, 2-chloro-	1	A'	3190	3005	0.942	238	1772
		4	A'	3093	2878	0.931	238	1773
		7	A'	1450	1390	0.959	238	1774
		10	A'	1100	1065	0.968	238	1775
		13	A'	428	418	0.976	238	1776
		21	A"	1438	1377	0.957	238	1777
		24	A"	972	972	1.000	238	1778
		27	A"	259	276	1.065	238	1779
CH2CCl2	Ethene, 1,1-dichloro-	2	A1	1722	1627	0.945	239	1780
		5	A1	300	299	0.995	239	1781
		8	B1	467	460	0.984	239	1782
		11	B2	801	800	0.999	239	1783
CH3COCl	Acetyl Chloride	2	A'	3099	2948	0.951	240	1784
		10	A'	346	348	1.005	240	1785
		13	A"	1060	1032	0.974	240	1786
CH3CHF2	Ethane, 1,1-difluoro-	2	A'	3139	2975	0.948	241	1787
		5	A'	1477	1413	0.957	241	1788
		8	A'	1175	1140	0.970	241	1789
		11	A'	474	468	0.988	241	1790
CH2CF2	Ethene, 1,1-difluoro-	3	A1	1429	1360	0.951	242	1791
		6	A2	733	714	0.974	242	1792
CCl2O	Phosgene	5	B2	860	849	0.987	243	1793
N(CH3)3	Trimethylamine	4	A1	1510	1444	0.956	244	1794
		7	A1	370	367	0.991	244	1795
		10	A2	1078	1046	0.971	244	1796
		14	E	2979	2776	0.932	244	1797
		18	E	1339	1275	0.952	244	1798
		21	E	431	424	0.983	244	1799
CFCl3	Trichloromonofluoromethane	2	A1	546	535	0.979	245	1800
		6	E	250	241	0.963	245	1801
CF3Cl	Methane, chlorotrifluoro-	2	A1	809	781	0.966	246	1802
		6	E	350	350	0.999	246	1803
C2F6	hexafluoroethane	2	A1g	838	809	0.966	247	1804
		5	A2u	1174	1117	0.951	247	1805
		10	Eu	1345	1251	0.930	247	1806
C5H8	1,3-Butadiene, 2-methyl-	5	A'	3178	3000	0.944	248	1807
		8	A'	1767	1638	0.927	248	1808
		11	A'	1483	1420	0.958	248	1809
		14	A'	1357	1313	0.968	248	1810
		17	A'	1016	1012	0.996	248	1811
		25	A"	1086	1034	0.952	248	1812
		28	A"	952	907	0.952	248	1813
		31	A"	408	290	0.710	248	1814
CHOCH(CH3)CH3	Propanal, 2-methyl-	3	A'	3126	2940	0.941	249	1815
		11	A'	1333	1329	0.997	249	1816
		14	A'	945	922	0.975	249	1817
		17	A'	361	395	1.095	249	1818
		20	A"	3166	2990	0.945	249	1819
		23	A"	1521	1467	0.965	249	1820
		26	A"	1360	1290	0.949	249	1821
CH2ClCHClCH3	Propane, 1,2-dichloro-	3	A	3177	2991	0.942	250	1822
		6	A	3091	2908	0.941	250	1823
		9	A	1504	1446	0.961	250	1824
		12	A	1342	1286	0.958	250	1825
		15	A	1169	1120	0.958	250	1826
		23	A	358	358	1.000	250	1827
		26	A	210	203	0.968	250	1828
CH3COCH2CH3	2-Butanone	1	A'	3198	2983	0.933	251	1829
		4	A'	3080	2910	0.945	251	1830
		7	A'	1526	1460	0.957	251	1831
		10	A'	1438	1373	0.955	251	1832
		13	A'	1210	1182	0.977	251	1833
		21	A"	3174	2983	0.940	251	1834
		24	A"	1520	1460	0.961	251	1835
		27	A"	1141	1108	0.971	251	1836
		30	A"	467	460	0.986	251	1837
		33	A"	98i	87	-0.888	251	1838
CHClCCl2	Trichloroethylene	4	A'	959	931	0.970	252	1839
		7	A'	392	384	0.980	252	1840
		10	A"	831	780	0.938	252	1841
CH3COOCH3	methyl acetate	1	A'	3216	3035	0.944	253	1842
		9	A'	1424	1375	0.966	253	1843
		12	A'	1133	1060	0.936	253	1844
		15	A'	659	639	0.969	253	1845
		18	A"	3184	3005	0.944	253	1846
		21	A"	1499	1430	0.954	253	1847
C6H5CHO	benzaldehyde	2	A'	3240	3081	0.951	254	1848
		5	A'	3198	3034	0.949	254	1849
		8	A'	1701	1614	0.949	254	1850
		11	A'	1515	1460	0.963	254	1851
		14	A'	1346	1276	0.948	254	1852
		22	A'	663	649	0.978	254	1853
		25	A'	227	224	0.988	254	1854
		28	A"	1005	978	0.973	254	1855
		31	A"	768	740	0.964	254	1856
		34	A"	416	400	0.962	254	1857
CH2CHCHCH2	1,3-Butadiene	2	Ag	3183	3003	0.943	255	1858
		5	Ag	1492	1438	0.964	255	1859
		8	Ag	909	894	0.983	255	1860
		16	Bg	784	770	0.982	255	1861
		19	Bu	3177	2984	0.939	255	1862
		22	Bu	1323	1294	0.978	255	1863
CHCCH2CH3	1-Butyne	3	A'	3099			256	1864
		6	A'	1538	1470	0.956	256	1865
		9	A'	1373	1322	0.963	256	1866
		12	A'	868	840	0.968	256	1867
		15	A'	207	197	0.951	256	1868
		23	A"	378	344	0.908	256	1869
CH2ClCH2Cl	Ethane, 1,2-dichloro-	1	Ag	3157	2957	0.937	257	1870
		9	Au	791	773	0.977	257	1871
		12	Bg	1322	1264	0.956	257	1872
		15	Bu	1522	1461	0.960	257	1873
		18	Bu	217	222	1.024	257	1874
C3H3N	acrylonitrile	2	A'	3227	3078	0.954	258	1875
		5	A'	1729	1615	0.934	258	1876
		8	A'	1115	1096	0.983	258	1877
		11	A'	236	242	1.027	258	1878
		14	A"	715	683	0.956	258	1879
C3H6O	2-Propen-1-ol	2	A	3280	3102	0.946	259	1880
		10	A	1449	1384	0.955	259	1881
		13	A	1262	1191	0.944	259	1882
		16	A	1050	1038	0.988	259	1883
		19	A	937	885	0.944	259	1884
		22	A	343	377	1.101	259	1885
C2H2O2	Ethanedial	1	Ag	3064	2843	0.928	260	1886
		4	Ag	1096	1065	0.971	260	1887
		7	Au	167	127	0.762	260	1888
		10	Bu	1885	1732	0.919	260	1889
CH3OCHO	methyl formate	3	A'	3109	2943	0.947	261	1890
		6	A'	1500	1445	0.963	261	1891
		9	A'	1220	1166	0.956	261	1892
		17	A"	347	332	0.958	261	1893
C6H5Cl	chlorobenzene	3	A1	3212	3031	0.944	262	1894
		11	A1	424	417	0.983	262	1895
		14	A2	420	403	0.960	262	1896
		17	B1	763	741	0.970	262	1897
		20	B1	194	198	1.018	262	1898
		23	B2	1690	1598	0.945	262	1899
		26	B2	1335	1271	0.952	262	1900
C5H12	Pentane	3	A1	3073	2866	0.933	263	1901
		6	A1	1529	1463	0.957	263	1902
		9	A1	1388	1346	0.969	263	1903
		17	A2	1537	1462	0.951	263	1904
		20	A2	1003	993	0.990	263	1905
		23	A2	121	131	1.080	263	1906
		26	B1	3085	2930	0.950	263	1907
		29	B1	1222	1170	0.957	263	1908
		37	B2	1539	1476	0.959	263	1909
		40	B2	1436	1379	0.960	263	1910
		43	B2	1065	1024	0.961	263	1911
CH3CH2CH2CN	Butanenitrile	1	A'	3166	2977	0.940	264	1912
		4	A'	3081	2883	0.936	264	1913
		12	A'	1135	1100	0.969	264	1914
		15	A'	900	842	0.935	264	1915
		18	A'	170			264	1916
		21	A"	3133	2950	0.941	264	1917
		24	A"	1279	1234	0.964	264	1918
		27	A"	758	764	1.007	264	1919
C3H2N2	Malononitrile	8	A2	387	367	0.947	265	1920
		11	B1	360	337	0.935	265	1921
		14	B2	1010	982	0.972	265	1922
C4H5N	Pyrrole	1	A1	3704	3531	0.953	266	1923
		4	A1	1542	1472	0.955	266	1924
		7	A1	1111	1075	0.968	266	1925
		10	A2	908	864	0.951	266	1926
		18	B2	3277	3119	0.952	266	1927
		21	B2	1321	1288	0.975	266	1928
		24	B2	877	866	0.988	266	1929
C4H8O	Furan, tetrahydro-	3	A	3099	2913	0.940	267	1930
		6	A	1527	1462	0.958	267	1931
		9	A	1282	1227	0.957	267	1932
		12	A	1059	1029	0.972	267	1933
		20	B	3102	2912	0.939	267	1934
		23	B	1514	1450	0.957	267	1935
		26	B	1280	1244	0.972	267	1936
		29	B	983	955	0.972	267	1937
		32	B	581	591	1.017	267	1938
C4H4O	Furan	1	A1	3323	3161	0.951	268	1939
		4	A1	1451	1384	0.954	268	1940
		7	A1	1035	995	0.961	268	1941
		15	B2	3314	3154	0.952	268	1942
		18	B2	1304	1267	0.972	268	1943
		21	B2	893	873	0.978	268	1944
C4H4S	Thiophene	2	A1	3275	3098	0.946	269	1945
		5	A1	1119	1083	0.968	269	1946
		8	A1	620	608	0.981	269	1947
		11	A2	583	567	0.973	269	1948
		19	B2	1124	1085	0.965	269	1949
C6H14	Hexane	1	Ag	3151	2966	0.941	270	1950
		4	Ag	3047	2852	0.936	270	1951
		7	Ag	1514	1440	0.951	270	1952
		10	Ag	1350	1305	0.967	270	1953
		13	Ag	1051	1007	0.958	270	1954
		21	Au	1347	1303	0.967	270	1955
		24	Au	806	824	1.022	270	1956
		27	Au	90	94	1.045	270	1957
		30	Bg	3107	2908	0.936	270	1958
		33	Bg	1342	1305	0.972	270	1959
		41	Bu	3071	2884	0.939	270	1960
		44	Bu	1541	1476	0.958	270	1961
		47	Bu	1439	1387	0.964	270	1962
		50	Bu	1101	1061	0.964	270	1963
		53	Bu	469	470	1.002	270	1964
C4H4N2	Succinonitrile	3	Ag	1500	1422	0.948	271	1965
		6	Ag	990	809	0.817	271	1966
		9	Au	3180	2985	0.939	271	1967
		12	Au	419	357	0.851	271	1968
		20	Bu	1506	1425	0.946	271	1969
		23	Bu	542	526	0.971	271	1970
C6H12	Cyclohexane	8	A1u	1143	1157	1.012	272	1971
		11	A2g	1075	1090	1.014	272	1972
		14	A2u	1518	1437	0.946	272	1973
		17	Eg	3114	2930	0.941	272	1974
		24	Eg	423	426	1.008	272	1975
		27	Eu	1514	1457	0.962	272	1976
		8	A	1528	1157	0.757	272	1977
		11	A	1382	1090	0.789	272	1978
		14	A	1284	1437	1.119	272	1979
		17	A	1052	2930	2.785	272	1980
		31	B	3061	426	0.139	272	1981
		37	B	1392	1457	1.047	272	1982
C5H5N	Pyridine	2	A1	3216	3073	0.956	273	1983
		5	A1	1546	1483	0.960	273	1984
		8	A1	1068	1032	0.966	273	1985
		19	B2	3229	3087	0.956	273	1986
		22	B2	1503	1442	0.960	273	1987
		25	B2	1176	1143	0.972	273	1988
C3H6O3	1,3,5-Trioxane	2	A1	3024	2855	0.944	274	1989
		5	A1	1030	970	0.941	274	1990
		12	E	3006	2855	0.950	274	1991
		15	E	1356	1309	0.965	274	1992
		18	E	1011	935	0.925	274	1993
C5H11N	Piperidine	3	A'	3119	2931	0.940	275	1994
		6	A'	3065	2850	0.930	275	1995
		9	A'	1520	1452	0.955	275	1996
		12	A'	1402	1365	0.974	275	1997
		15	A'	1182	1164	0.985	275	1998
		23	A'	436	432	0.991	275	1999
		26	A"	3130	2940	0.939	275	2000
		29	A"	2968	2803	0.944	275	2001
		32	A"	1495	1436	0.961	275	2002
		35	A"	1363	1285	0.943	275	2003
		43	A"	826	810	0.981	275	2004
		3	A'	3119	2931	0.940	275	2005
		6	A'	3065	2850	0.930	275	2006
		9	A'	1511	1452	0.961	275	2007
		12	A'	1403	1365	0.973	275	2008
		15	A'	1205	1164	0.966	275	2009
		23	A'	436	432	0.991	275	2010
		26	A"	3124	2940	0.941	275	2011
		29	A"	3054	2803	0.918	275	2012
		32	A"	1495	1436	0.960	275	2013
		35	A"	1361	1285	0.944	275	2014
		43	A"	811	810	0.999	275	2015
CH2CHCH3	Propene	2	A'	3196	3013	0.943	276	2016
		5	A'	3067	2871	0.936	276	2017
		16	A"	1507	1443	0.958	276	2018
		19	A"	957	912	0.953	276	2019
CH3OCH3	Dimethyl ether	3	A1	1552	1464	0.943	277	2020
		6	A1	1000	928	0.928	277	2021
		14	B1	1217	1179	0.969	277	2022
		17	B2	3026	2817	0.931	277	2023
		20	B2	1258	1227	0.975	277	2024
CH2C(CH3)CH3	1-Propene, 2-methyl-	7	A1	1436	1366	0.952	278	2025
		10	A1	380	383	1.007	278	2026
		13	A2	1030	1076	1.044	278	2027
		16	B1	3128	2945	0.942	278	2028
		19	B1	950	890	0.937	278	2029
		27	B2	1323	1282	0.969	278	2030
		30	B2	441	430	0.975	278	2031
CH3CH2CHO	Propanal	2	A'	3096	2904	0.938	279	2032
		5	A'	1892	1743	0.921	279	2033
		8	A'	1445	1390	0.962	279	2034
		11	A'	1126	1093	0.971	279	2035
		19	A"	1291	1250	0.968	279	2036
		22	A"	683	660	0.966	279	2037
C4H9N	Pyrrolidine	4	A'	3112	2889	0.928	280	2038
		7	A'	1533	1447	0.944	280	2039
		10	A'	1267	1228	0.969	280	2040
		13	A'	1024	920	0.898	280	2041
		16	A'	905	832	0.919	280	2042
		24	A"	1543	1459	0.945	280	2043
		27	A"	1344	1268	0.943	280	2044
		30	A"	1219	1171	0.961	280	2045
		33	A"	953	883	0.927	280	2046
		36	A"	59	65	1.093	280	2047
C4H8O2	1,4-Dioxane	3	Ag	1526	1444	0.946	281	2048
		6	Ag	1166	1128	0.967	281	2049
		9	Ag	447	435	0.974	281	2050
		12	Au	3037	2863	0.943	281	2051
		20	Bg	3152	2968	0.942	281	2052
		23	Bg	1374	1335	0.972	281	2053
		26	Bg	878	853	0.971	281	2054
		29	Bu	3051	2863	0.938	281	2055
		32	Bu	1343	1291	0.961	281	2056
C5H8	Cyclopentene	7	A'	1537	1467	0.954	282	2057
		10	A'	1245	1284	1.031	282	2058
		13	A'	997	964	0.967	282	2059
		16	A'	730	692	0.948	282	2060
		19	A"	3230	3039	0.941	282	2061
		27	A"	1164	1207	1.037	282	2062
		30	A"	940	937	0.997	282	2063
		33	A"	394	387	0.983	282	2064
C2H5N	Aziridine	1	A'	3522	3338	0.948	283	2065
		4	A'	1563	1482	0.948	283	2066
		7	A'	1144	1090	0.953	283	2067
		10	A'	781	773	0.990	283	2068
		13	A"	1520	1463	0.962	283	2069
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	3	A1	1233	1179	0.956	284	2070
		6	A2	942	876	0.930	284	2071
		9	B2	3259	3072	0.943	284	2072
		12	B2	585	571	0.976	284	2073
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1	Ag	3265	3073	0.941	285	2074
		4	Ag	871	846	0.971	285	2075
		7	Au	191	227	1.186	285	2076
C4H6	Bicyclo[1.1.0]butane	7	A1	934	839	0.898	286	2077
		10	A2	1195	1172	0.981	286	2078
		13	A2	877	838	0.956	286	2079
		16	B1	1143	1092	0.955	286	2080
		19	B2	3212	3044	0.948	286	2081
C5H8	Spiropentane	2	A1	1525	1423	0.933	287	2082
		5	A1	630	588	0.933	287	2083
		8	A2	841	919	1.093	287	2084
		16	B2	1024	990	0.967	287	2085
		20	E	1487	1431	0.963	287	2086
		23	E	921	870	0.945	287	2087
C8H8	cubane	8	Eu	629	617	0.981	288	2088
		14	T2g	1266	1182	0.933	288	2089
		15	T2g	871	821	0.943	288	2090
		16	T2g	685	665	0.971	288	2091
		17	T2u	1119	1036	0.926	288	2092
		18	T2u	875	829	0.947	288	2093
C3H6S	Thietane	3	A'	3119	2946	0.944	289	2094
		11	A'	866	845	0.976	289	2095
		14	A'	136			289	2096
		17	A"	1511	1454	0.962	289	2097
		20	A"	1214	1165	0.959	289	2098
		23	A"	826	823	0.997	289	2099
C3H4N2	1H-Pyrazole	8	A'	1428	1358	0.951	290	2100
		11	A'	1172	1121	0.957	290	2101
		14	A'	949	924	0.974	290	2102
		17	A"	856	833	0.973	290	2103
		20	A"	644	623	0.968	290	2104
C3H3NO	Isoxazole	2	A'	3306	3128	0.946	291	2105
		5	A'	1517	1560	1.028	291	2106
		13	A'	932			291	2107
		16	A"	805	764	0.949	291	2108
C3H4N2	1H-Imidazole	8	A'	1412	1265	0.896	292	2109
		11	A'	1167	1062	0.910	292	2110
		14	A'	951	923	0.971	292	2111
		17	A"	829	758	0.915	292	2112
		20	A"	654	621	0.950	292	2113
C3H3NO	Oxazole	2	A'	3311	3144	0.950	293	2114
		5	A'	1583	1504	0.950	293	2115
		13	A'	923	854	0.925	293	2116
		16	A"	770	750	0.974	293	2117
C2H3N3	1H-1,2,4-Triazole	10	A'	1174	1155	0.984	294	2118
		13	A'	970	930	0.959	294	2119
		16	A"	715	693	0.969	294	2120
CH2N4	1H-Tetrazole	1	A'	3682	3447	0.936	295	2121
		4	A'	1507	1384	0.918	295	2122
		7	A'	1172	1084	0.925	295	2123
		10	A'	1034	969	0.937	295	2124
		13	A"	757	663	0.876	295	2125
C4H4N2	Pyridazine	2	A1	3229	3043	0.942	296	2126
		5	A1	1213	1283	1.058	296	2127
		8	A1	1046	964	0.922	296	2128
		11	A2	959	863	0.900	296	2129
		19	B2	1671	1565	0.937	296	2130
		22	B2	1106	1052	0.951	296	2131
C4H4N2	1,3-Diazine	3	A1	3205	3049	0.951	297	2132
		11	A2	411	398	0.968	297	2133
		14	B1	832	804	0.966	297	2134
		17	B2	3208	3047	0.950	297	2135
		20	B2	1406	1356	0.964	297	2136
		23	B2	1113	1071	0.962	297	2137
C4H4N2	Pyrazine	2	Ag	1681	1580	0.940	298	2138
		5	Ag	606	602	0.993	298	2139
		8	B1g	962	927	0.964	298	2140
		16	B2u	1470	1411	0.960	298	2141
		19	B3g	3208	3040	0.948	298	2142
		22	B3g	726	704	0.970	298	2143
C3H3N3	1,3,5-Triazine	3	A1'	1039	992	0.955	299	2144
		11	E'	1229	1176	0.957	299	2145
		14	E"	362	340	0.940	299	2146
N2H4	Hydrazine	3	A	1735	1642	0.946	300	2147
		6	A	883	780	0.883	300	2148
		9	B	3469	3314	0.955	300	2149
		12	B	1048	966	0.922	300	2150
C2H5SC2H5	Diethyl sulfide	6	A1	1438	1380	0.960	301	2151
		9	A1	1023	974	0.952	301	2152
		12	A1	135			301	2153
		15	A2	1526			301	2154
		18	A2	788			301	2155
		21	B1	3171	2967	0.936	301	2156
		29	B2	3162	2967	0.938	301	2157
		32	B2	1534	1450	0.946	301	2158
		35	B2	1300	1259	0.969	301	2159
		38	B2	730	693	0.949	301	2160
CF2O	Carbonic difluoride	1	A1	2070	1928	0.932	302	2161
		4	B1	787	774	0.983	302	2162
CF3CN	Acetonitrile, trifluoro-	4	A1	530	522	0.985	303	2163
		6	E	642	618	0.963	303	2164
C2H4S	Thiirane	1	A1	3172	3014	0.950	304	2165
CH3CF3	Ethane, 1,1,1-trifluoro-	2	A1	1471	1412	0.960	305	2166
		5	A1	610	606	0.994	305	2167
		9	E	1328	1230	0.926	305	2168
C4H2	Diacetylene	1	Σg	3499	3293	0.941	306	2169
		9	Πu	275	231	0.840	306	2170
C2N2	Cyanogen	2	Σg	897	846	0.943	307	2171
CH2CCH2	allene	2	A1	1513	1443	0.954	308	2172
		5	B2	3180	3007	0.945	308	2173
		8	E	3261	3086	0.946	308	2174
CH2CO	Ketene	3	A1	1443	1388	0.962	309	2175
OCS	Carbonyl sulfide	2	Σ	882	859	0.974	310	2176
C5H12	Propane, 2,2-dimethyl-	2	A1	1467	1381	0.941	311	2177
		5	E	3152	2955	0.938	311	2178
		10	T1	1519	1461	0.962	311	2179
		11	T1	984	932	0.947	311	2180
		12	T1	339	203	0.599	311	2181
		13	T2	3155	2959	0.938	311	2182
		14	T2	3073	2876	0.936	311	2183
C6H6	Fulvene	6	A1	1480	1449	0.979	312	2184
		9	A1	1020	986	0.967	312	2185
		12	A2	976			312	2186
		15	A2	501	494	0.986	312	2187
		18	B1	814	769	0.944	312	2188
		21	B2	3278			312	2189
		29	B2	807	795	0.986	312	2190
CH3CCCH3	2-Butyne	3	A1'	1439	1380	0.959	313	2191
		6	A2"	3076	2938	0.955	313	2192
		9	E'	3148	2973	0.944	313	2193
		12	E'	205	213	1.038	313	2194
C3H6O	Oxetane	2	A1	3091	2930	0.948	314	2195
		10	A2	1252	1283	1.025	314	2196
		13	B1	3201	3007	0.939	314	2197
		16	B1	1170	1142	0.976	314	2198
		19	B2	3082	2966	0.963	314	2199
		22	B2	1285	1363	1.061	314	2200
C3O2	Carbon suboxide	3	Σu	2450	2258	0.922	315	2201
		7	Πu	124	61	0.494	315	2202
C5H10	2-Butene, 2-methyl-	4	A'	3158	2972	0.941	316	2203
		7	A'	3063	2908	0.949	316	2204
		10	A'	1530	1453	0.950	316	2205
		27	A"	3120	2972	0.953	316	2206
		30	A"	1500	1453	0.969	316	2207
C5H6	1,3-Cyclopentadiene	2	A1	3258	3075	0.944	317	2208
		5	A1	1450	1378	0.950	317	2209
		13	A2	736	700	0.951	317	2210
		16	B1	982	925	0.942	317	2211
		19	B1	343	350	1.020	317	2212
		22	B2	1696	1580	0.931	317	2213
		25	B2	1125	1090	0.969	317	2214
CH3COF	Acetyl fluoride	3	A'	2001	1870	0.934	318	2215
		6	A'	1276	1188	0.931	318	2216
		9	A'	614	598	0.974	318	2217
		12	A"	1497	1437	0.960	318	2218
CH2CHCHClCH3	1-Butene, 3-chloro-	2	A	3196	3017	0.944	319	2219
		10	A	1518	1447	0.953	319	2220
		13	A	1350	1297	0.960	319	2221
		16	A	1215	1174	0.966	319	2222
		19	A	1038	988	0.952	319	2223
		22	A	895	864	0.965	319	2224
		25	A	467	456	0.977	319	2225
CH3CHCHCH3	2-Butene, (Z)-	1	A1	3188	3033	0.951	320	2226
		4	A1	1788	1669	0.934	320	2227
		7	A1	1303	1261	0.968	320	2228
		10	A1	292	290	0.992	320	2229
		18	B1	1519	1448	0.953	320	2230
		24	B2	3075	2900	0.943	320	2231
		27	B2	1407	1397	0.993	320	2232
		30	B2	562	583	1.037	320	2233
CH2CCHCH3	1,2-Butadiene	2	A'	3169	3010	0.950	321	2234
		5	A'	2121	1970	0.929	321	2235
		8	A'	1435	1389	0.968	321	2236
		11	A'	1110	1074	0.967	321	2237
		14	A'	586	555	0.946	321	2238
		22	A"	543	523	0.963	321	2239
CH3F	Methyl fluoride	3	A1	1150	1049	0.912	322	2240
		5	E	1533	1467	0.957	322	2241
CH3PH2	Methyl phosphine	1	A'	3189	3000	0.941	323	2242
		4	A'	1511	1450	0.960	323	2243
		12	A"	1508	1450	0.962	323	2244
		15	A"	224	207	0.925	323	2245
C5H8	1,2-Butadiene, 3-methyl-	2	A1	3169	2941	0.928	324	2246
		5	A1	1549	1470	0.949	324	2247
		13	A2	1510	1470	0.974	324	2248
		19	B1	1526	1470	0.963	324	2249
		22	B1	468	443	0.946	324	2250
		25	B2	3184	2941	0.924	324	2251
		28	B2	1425	1369	0.961	324	2252
CH3NO3	Methyl nitrate	3	A'	1837	1678	0.913	325	2253
		6	A'	1419	1287	0.907	325	2254
		9	A'	946	854	0.902	325	2255
		12	A'	361	340	0.941	325	2256
C5H6S	Thiophene, 3-methyl-	1	A'	3288	3111	0.946	326	2257
		4	A'	3172	2971	0.937	326	2258
		12	A'	1198	1154	0.963	326	2259
		15	A'	956	931	0.974	326	2260
		18	A'	669	659	0.985	326	2261
		21	A"	3138	2945	0.938	326	2262
		24	A"	905	874	0.966	326	2263
		27	A"	607	594	0.978	326	2264
CH3CHCHCH3	2-Butene, (E)-	1	Ag	3165	3011	0.951	327	2265
		4	Ag	1798	1680	0.934	327	2266
		7	Ag	1343	1309	0.975	327	2267
		15	Au	255	224	0.878	327	2268
		18	Bg	1513	1457	0.963	327	2269
		24	Bu	3074	2899	0.943	327	2270
		27	Bu	1338	1311	0.980	327	2271
CH3SCH2CH3	Ethane, (methylthio)-	1	A'	3195	2991	0.936	328	2272
		4	A'	3082	2871	0.932	328	2273
		7	A'	1518	1435	0.945	328	2274
		10	A'	1393	1321	0.948	328	2275
		13	A'	1021			328	2276
		21	A"	3130	2920	0.933	328	2277
		24	A"	1279	1239	0.969	328	2278
		27	A"	792	757	0.955	328	2279
		30	A"	52			328	2280
CH3ONO	Methyl nitrite	2	A'	3104	2950	0.950	329	2281
		5	A'	1472	1408	0.956	329	2282
		13	A"	1176	1143	0.971	329	2283
CH3SSCH3	Disulfide, dimethyl	8	A	994	949	0.954	330	2284
		11	A	243	240	0.989	330	2285
		14	B	3204	2990	0.933	330	2286
		17	B	1515	1430	0.944	330	2287
		20	B	1005	955	0.950	330	2288
C6H10	2-Hexyne	8	A'	1536	1462	0.952	331	2289
		11	A'	1505	1450	0.964	331	2290
		14	A'	1409	1348	0.957	331	2291
		17	A'	1132	1097	0.969	331	2292
		20	A'	915	893	0.976	331	2293
		28	A"	3133	2942	0.939	331	2294
		31	A"	1507	1450	0.962	331	2295
		34	A"	1136	1091	0.961	331	2296
		37	A"	745	740	0.993	331	2297
		40	A"	220	220	0.999	331	2298
C3H7N	Cyclopropylamine	1	A'	3516	3348	0.952	332	2299
		4	A'	3118	2975	0.954	332	2300
		7	A'	1439	1374	0.955	332	2301
		10	A'	1080	1150	1.065	332	2302
		18	A"	3177	3023	0.952	332	2303
		21	A"	1206	1045	0.866	332	2304
		24	A"	940	884	0.940	332	2305
		27	A"	294	254	0.863	332	2306
C6H8	1,3,5-Hexatriene, (E)-	3	Ag	3179	3054	0.961	333	2307
		6	Ag	1690	1579	0.934	333	2308
		9	Ag	1329	1220	0.918	333	2309
		12	Ag	447	444	0.994	333	2310
		15	Au	985	941	0.955	333	2311
		18	Au	258			333	2312
		26	Bu	3191	3045	0.954	333	2313
		29	Bu	1743	1629	0.934	333	2314
		32	Bu	1284	1255	0.977	333	2315
		35	Bu	543	590	1.087	333	2316
C4H6	Cyclobutene	2	A1	3092	2935	0.949	334	2317
		5	A1	1250	1276	1.021	334	2318
		8	A1	929	886	0.954	334	2319
		16	B1	874	846	0.968	334	2320
		19	B2	3087	2916	0.945	334	2321
		22	B2	1251	1214	0.970	334	2322
CH3SiH3	methyl silane	1	A1	3081	2898	0.941	335	2323
		4	A1	943	940	0.997	335	2324
		7	E	3167	2982	0.941	335	2325
		10	E	969	980	1.011	335	2326
C4N2	2-Butynedinitrile	8	Πu	526	472	0.898	336	2327
NaOH	sodium hydroxide	1	Σ	3953	3637	0.920	337	2328
Si2H6	disilane	1	A1g	2241	2152	0.960	338	2329
		4	A1u	113	131	1.161	338	2330
		7	Eg	2244	2155	0.960	338	2331
CCl2	dichloromethylene	2	A1	338	335	0.991	339	2332
C5H10S	2H-Thiopyran, tetrahydro-	3	A'	3112	2929	0.941	340	2333
		6	A'	3060	2849	0.931	340	2334
		9	A'	1492	1426	0.956	340	2335
		12	A'	1286	1237	0.962	340	2336
		20	A'	499	504	1.009	340	2337
		23	A'	174	194	1.114	340	2338
		26	A"	3079	2892	0.939	340	2339
		29	A"	1486	1405	0.945	340	2340
		32	A"	1319	1269	0.962	340	2341
		40	A"	711	688	0.968	340	2342
C3H5	Allyl radical	2	A1	3197	3048	0.953	341	2343
		5	A1	1297	1245	0.960	341	2344
		11	B1	817	802	0.981	341	2345
		14	B2	3189	3016	0.946	341	2346
		17	B2	1171	1182	1.009	341	2347
C5H8	1,3-Pentadiene, (E)-	3	A'	3183	3015	0.947	342	2348
		6	A'	3156	2940	0.931	342	2349
		9	A'	1723	1610	0.934	342	2350
		12	A'	1438	1385	0.963	342	2351
		20	A'	485	483	0.996	342	2352
		23	A"	3125	2971	0.951	342	2353
		26	A"	1061	1002	0.944	342	2354
		29	A"	859	820	0.955	342	2355
		32	A"	203	129	0.635	342	2356
CH2NH	Methanimine	1	A'	3445	3263	0.947	343	2357
		9	A"	1113	1061	0.953	343	2358
CF2	Difluoromethylene	1	A1	1313	1225	0.933	344	2359
CF3	Trifluoromethyl radical	2	A1	706	701	0.992	345	2360
		4	R	513	509	0.991	345	2361
C4H9N	Cyclobutylamine	3	A'	3151	2950	0.936	346	2362
		6	A'	3038	2887	0.950	346	2363
		9	A'	1500	1443	0.962	346	2364
		12	A'	1255	1237	0.986	346	2365
		15	A'	989	1050	1.061	346	2366
		23	A"	3156	2970	0.941	346	2367
		26	A"	1367	1213	0.887	346	2368
		29	A"	1237	1036	0.837	346	2369
		32	A"	965	912	0.945	346	2370
		35	A"	398	354	0.888	346	2371
SF6	Sulfur Hexafluoride	3	T1u	1035	948	0.916	347	2372
		4	T1u	590	616	1.042	347	2373
		5	T2g	503	525	1.044	347	2374
		6	T2u	338	347	1.026	347	2375
HCO	Formyl radical	1	A'	2711	2434	0.898	348	2376
C3H4	cyclopropene	1	A1	3339	3158	0.946	349	2377
		4	A1	1559	1483	0.951	349	2378
		7	A2	1036	996	0.961	349	2379
		10	B1	1134	1088	0.959	349	2380
C4H8O	Cyclobutanol	1	A'	3803	3656	0.961	350	2381
		4	A'	3123	2968	0.951	350	2382
		12	A'	1232	1120	0.909	350	2383
		15	A'	1009	963	0.955	350	2384
		18	A'	611	602	0.986	350	2385
		21	A"	3157	2979	0.944	350	2386
		24	A"	1314	1211	0.922	350	2387
		32	A"	420	380	0.904	350	2388
C3H3	Propargyl radical	6	B1	651	687	1.055	351	2389
CS	carbon monosulfide	1	Σ	1329	1285	0.967	352	2390
NF2	Difluoroamino radical	1	A1	1194	1075	0.900	353	2391
SiH2Cl2	dichlorosilane	1	A1	2319	2224	0.959	354	2392
		4	A1	180	188	1.042	354	2393
		7	B1	604	602	0.997	354	2394
CHOCHCHCH3	2-Butenal	1	A'	3228	3058	0.947	355	2395
		4	A'	3074	2938	0.956	355	2396
		7	A'	1761	1649	0.936	355	2397
		10	A'	1435	1375	0.958	355	2398
		13	A'	1180	1147	0.972	355	2399
		16	A'	547	539	0.986	355	2400
		24	A"	802	780	0.972	355	2401
		27	A"	118	122	1.034	355	2402
C4H5N	Cyclopropanecarbonitrile	5	A'	1540	1468	0.953	356	2403
		8	A'	1152	1125	0.976	356	2404
		11	A'	825	808	0.979	356	2405
		14	A'	213	222	1.043	356	2406
		17	A"	1490	1442	0.968	356	2407
C4H6	Methylenecyclopropane	1	A1	3180	3010	0.947	357	2408
		4	A1	1515	1437	0.948	357	2409
		7	A1	1051	1002	0.953	357	2410
		10	A2	1179	1144	0.970	357	2411
		18	B2	3263	3086	0.946	357	2412
		21	B2	1163	1174	1.010	357	2413
		24	B2	349	290	0.832	357	2414
C5H12S	Propane, 2-methyl-2-(methylthio)-	3	A'	3156	2967	0.940	358	2415
		6	A'	3079	2875	0.934	358	2416
		9	A'	1534	1460	0.952	358	2417
		12	A'	1455	1391	0.956	358	2418
		20	A'	852	815	0.957	358	2419
		23	A'	429	419	0.977	358	2420
		26	A'	295			358	2421
		29	A"	3166	2967	0.937	358	2422
		32	A"	3073	2875	0.935	358	2423
		43	A"	407	403	0.991	358	2424
		46	A"	247			358	2425
HCP	HCP	2	Σ	1388	1278	0.921	359	2426
SO3	Sulfur trioxide	1	A1'	1098	1065	0.970	360	2427
AlCl3	Aluminum trichloride	3	E'	633	595	0.939	361	2428
C2Cl2	dichloroacetylene	2	Σg	493	477	0.968	362	2429
ClFO3	Perchloryl fluoride	2	A1	800	715	0.894	363	2430
		6	E	384	405	1.056	363	2431
SiO2	silicon dioxide	2	Σu	1520	1416	0.932	364	2432
BF3	Borane, trifluoro-	1	A1'	912	888	0.974	365	2433
NaH	sodium hydride	1	Σ	1207	1172	0.971	366	2434
PF5	Phosphorus pentafluoride	6	E'	522	533	1.022	367	2435
HF	Hydrogen fluoride	1	Σ	4080	4138	1.014	368	2436
NH3	Ammonia	1	A1	3485	3337	0.957	369	2437
H2SO4	Sulfuric acid	2	A	1238	1216	0.983	370	2438
		13	B	546	558	1.021	370	2439
NaF	sodium fluoride	1	Σ	585	536	0.915	371	2440
HNO3	Nitric acid	3	A'	1457	1331	0.913	372	2441
		6	A'	705	647	0.918	372	2442
		9	A"	541	456	0.843	372	2443
PCl3	Phosphorus trichloride	2	A1	256	252	0.983	373	2444
H2O2	Hydrogen peroxide	3	A	1049	877	0.836	374	2445
		6	B	1368	1266	0.926	374	2446
H2O	Water	3	B2	3932	3756	0.955	375	2447
HNO2	Nitrous acid	1	A'	3770	3591	0.952	376	2448
		4	A'	963	790	0.820	376	2449
PF3	Phosphorus trifluoride	2	A1	471	487	1.034	377	2450
SiF4	Silicon tetrafluoride	2	E	260	268	1.031	378	2451
AlH3	aluminum trihydride	2	A2"	708	698	0.986	379	2452
		4	E'	790	783	0.992	379	2453
C4H5N	Cyclopropanecarbonitrile	13	A'	542	527	0.972	380	2454
		16	A"	3191	3040	0.953	380	2455
		19	A"	1122	1070	0.954	380	2456
		22	A"	841	821	0.976	380	2457
C4H6	Methylenecyclopropane	3	A1	1894	1743	0.920	381	2458
		6	A1	1108	1036	0.935	381	2459
		9	A2	3230	3051	0.944	381	2460
		12	A2	621	616	0.992	381	2461
		15	B1	947	889	0.939	381	2462
		23	B2	927	792	0.855	381	2463
C5H12S	Propane, 2-methyl-2-(methylthio)-	5	A'	3091	2924	0.946	382	2464
		8	A'	1548	1460	0.943	382	2465
		11	A'	1508	1435	0.952	382	2466
		14	A'	1386	1318	0.951	382	2467
		17	A'	1066	1026	0.962	382	2468
		25	A'	335	322	0.962	382	2469
		28	A"	3178	2967	0.934	382	2470
		31	A"	3146	2967	0.943	382	2471
		34	A"	1517	1445	0.953	382	2472
		37	A"	1428	1364	0.955	382	2473
		40	A"	987			382	2474
		48	A"	43i			382	2475
HNC	hydrogen isocyanide	3	Π	528	477	0.903	383	2476
SO2	Sulfur dioxide	1	A1	1231	1151	0.936	384	2477
SO3	Sulfur trioxide	3	E'	1426	1391	0.976	385	2478
C2Cl2	dichloroacetylene	1	Σg	2416	2234	0.925	386	2479
		4	Πg	340	333	0.980	386	2480
ClFO3	Perchloryl fluoride	4	E	1310	1315	1.004	387	2481
BF3	Borane, trifluoro-	3	E'	1522	1449	0.952	388	2482
PF5	Phosphorus pentafluoride	2	A1'	699	648	0.927	389	2483
		5	E'	1073	1024	0.954	389	2484
		8	E"	496	520	1.049	389	2485
NH3	Ammonia	2	A1	1137	950	0.836	390	2486
		4	E	1726	1627	0.943	390	2487
H2SO4	Sulfuric acid	1	A	3771	3563	0.945	391	2488
		4	A	860	831	0.967	391	2489
		7	A	365	379	1.036	391	2490
		10	B	1492	1452	0.973	391	2491
HNO3	Nitric acid	2	A'	1881	1708	0.908	392	2492
		5	A'	1001	879	0.878	392	2493
		8	A"	816	762	0.934	392	2494
PCl3	Phosphorus trichloride	1	A1	523	504	0.964	393	2495
H2O2	Hydrogen peroxide	1	A	3784	3599	0.951	394	2496
		4	A	381	371	0.973	394	2497
N2	Nitrogen diatomic	1	Σg	2531	2359	0.932	395	2498
H2O	Water	2	A1	1707	1595	0.934	396	2499
F2	Fluorine diatomic	1	Σg	1169	917	0.784	397	2500
HNO2	Nitrous acid	3	A'	1378	1263	0.917	398	2501
		6	A"	626	543	0.867	398	2502
H2S	Hydrogen sulfide	3	B2	2782	2626	0.944	399	2503
F2O	Difluorine monoxide	1	A1	1109	928	0.837	400	2504
NF3	Nitrogen trifluoride	1	A1	1128	1032	0.915	401	2505
PF3	Phosphorus trifluoride	1	A1	941	892	0.948	402	2506
SiF4	Silicon tetrafluoride	1	A1	816	800	0.980	403	2507
		3	T2	1079	1032	0.957	403	2508
		4	T2	387	389	1.004	403	2509
AlF3	Aluminum trifluoride	3	E'	1025	935	0.912	404	2510
H2CO	Formaldehyde	1	A1	2987	2782	0.931	405	2511
		4	B1	1216	1167	0.960	405	2512
C3H4O2	β–Propiolactone	2	A'	3137	2935	0.936	406	2513
		5	A'	1488	1427	0.959	406	2514
		8	A'	1161	1093	0.942	406	2515
		11	A'	918	891	0.971	406	2516
		19	A"	804	790	0.983	406	2517
CH3CH2OH	Ethanol	4	A'	3039	2900	0.954	407	2518
		7	A'	1491	1412	0.947	407	2519
		10	A'	1160	1091	0.941	407	2520
		13	A'	419	417	0.993	407	2521
		16	A"	1516	1446	0.954	407	2522
HCOOH	Formic acid	8	A"	1073	1033	0.963	408	2523
CH3COOH	Acetic acid	2	A'	3218	3051	0.948	409	2524
		5	A'	1499	1430	0.954	409	2525
		8	A'	1253	1182	0.943	409	2526
		11	A'	597	657	1.101	409	2527
		14	A"	1499	1430	0.954	409	2528
CH3OH	Methyl alcohol	3	A'	3044	2844	0.934	410	2529
		6	A'	1399	1345	0.961	410	2530
		9	A"	3097	2960	0.956	410	2531
		12	A"	314	200	0.637	410	2532
CH3COCH3	Acetone	1	A1	3203	3019	0.943	411	2533
		4	A1	1502	1435	0.955	411	2534
		7	A1	809	777	0.961	411	2535
		18	B2	3202	3019	0.943	411	2536
		21	B2	1422	1364	0.959	411	2537
		24	B2	539	530	0.984	411	2538
		1	A'	3172	3019	0.952	411	2539
		4	A'	1529	1435	0.938	411	2540
		7	A'	1317	777	0.590	411	2541
		18	A"	1491	3019	2.025	411	2542
		21	A"	973	1364	1.402	411	2543
		24	A"	142	530	3.740	411	2544
CHCl3	Chloroform	1	A1	3233	3034	0.939	412	2545
		4	E	1281	1220	0.952	412	2546
C2H6O2S	Dimethyl sulfone	2	A1	3114	2936	0.943	413	2547
		5	A1	1181	1121	0.949	413	2548
		8	A1	492	496	1.008	413	2549
		11	A2	1483	1405	0.948	413	2550
		19	B1	361	396	1.096	413	2551
		22	B2	3112	2936	0.943	413	2552
		25	B2	975	958	0.982	413	2553
C6H6	Benzene	2	A1g	1045	992	0.949	414	2554
		10	B2u	1177	1150	0.977	414	2555
		12	E1u	3225	3063	0.950	414	2556
		15	E2g	3211	3047	0.949	414	2557
		18	E2g	617	606	0.982	414	2558
CH3CCl3	Ethane, 1,1,1-trichloro-	3	A1	1116	1075	0.963	415	2559
		6	A2	309	214	0.693	415	2560
		12	E	246	239	0.971	415	2561
CH4	Methane	4	T2	1381	1306	0.946	416	2562
C2H6	Ethane	3	A1g	1034	995	0.962	417	2563
		6	A2u	1423	1370	0.963	417	2564
		12	Eu	821	822	1.002	417	2565
C2H4	Ethylene	3	Ag	1402	1342	0.957	418	2566
		6	B1u	1493	1444	0.967	418	2567
		9	B2u	836	826	0.988	418	2568
		12	B3u	1000	949	0.949	418	2569
C2H2	Acetylene	1	Σg	3554	3374	0.949	419	2570
CH3Cl	Methyl chloride	3	A1	773	732	0.947	420	2571
		5	E	1514	1455	0.961	420	2572
CH3NH2	methyl amine	2	A'	3124	2961	0.948	421	2573
		5	A'	1534	1473	0.960	421	2574
		8	A'	1102	1044	0.947	421	2575
		11	A"	3164	2985	0.943	421	2576
		14	A"	985	1195	1.214	421	2577
CH3SH	Methanethiol	1	A'	3205	3000	0.936	422	2578
		4	A'	1518	1475	0.971	422	2579
		7	A'	818	803	0.982	422	2580
		10	A"	1511	1430	0.946	422	2581
C3H8	Propane	2	A1	3084	2962	0.960	423	2582
		13	A2	916	940	1.026	423	2583
		16	B1	3115	2968	0.953	423	2584
		19	B1	756	748	0.989	423	2585
		22	B2	3079	2887	0.938	423	2586
		25	B2	1386	1338	0.965	423	2587
CH3CCH	propyne	3	A1	2291	2124	0.927	424	2588
		6	E	3156	3008	0.953	424	2589
CH3CH2Cl	Ethyl chloride	1	A'	3168	2967	0.937	425	2590
		4	A'	1532	1463	0.955	425	2591
		7	A'	1344	1289	0.959	425	2592
		15	A"	1293	1251	0.967	425	2593
		18	A"	258	251	0.974	425	2594
CH2CHCl	Ethene, chloro-	4	A'	1726	1608	0.932	426	2595
		7	A'	1047	1030	0.984	426	2596
		10	A"	983	941	0.957	426	2597
CH2CHF	Ethene, fluoro-	2	A'	3246	3080	0.949	427	2598
		5	A'	1443	1380	0.956	427	2599
CH3CH2NH2	Ethylamine	2	A'	3149	2985	0.948	428	2600
		5	A'	1703	1622	0.952	428	2601
		8	A'	1442	1378	0.956	428	2602
		16	A"	3155	2924	0.927	428	2603
		19	A"	1409	1238	0.879	428	2604
		22	A"	783	816	1.043	428	2605
CH3CN	Acetonitrile	5	E	3186	3009	0.944	429	2606
		8	E	389	362	0.930	429	2607
CH3CHO	Acetaldehyde	2	A'	3084	2923	0.948	430	2608
		10	A'	508	509	1.001	430	2609
		13	A"	1152	1102	0.957	430	2610
CH3CH2SH	ethanethiol	3	A'	3086	2872	0.931	431	2611
		6	A'	1524	1453	0.954	431	2612
		9	A'	1135	1097	0.966	431	2613
		12	A'	711	660	0.928	431	2614
CH2Cl2	Methylene chloride	4	A1	287	282	0.984	432	2615
		7	B1	924	898	0.972	432	2616
CH2F2	Methane, difluoro-	3	A1	1179	1111	0.943	433	2617
CHONH2	formamide	3	A'	3063	2854	0.932	434	2618
		11	A"	657	603	0.917	434	2619
HNCO	Isocyanic acid	3	A'	1383	1327	0.959	435	2620
		6	A"	636	656	1.033	435	2621
CH3SCH3	Dimethyl sulfide	3	A1	1522	1444	0.949	436	2622
		6	A1	728	695	0.955	436	2623
		9	A2	1500	1420	0.946	436	2624
		12	B1	3171	2970	0.937	436	2625
		20	B2	933	903	0.968	436	2626
C3H6	Cyclopropane	1	A1'	3181	3038	0.955	437	2627
		10	E'	1072	1029	0.960	437	2628
		13	E"	1221	1188	0.973	437	2629
C2H4O	Ethylene oxide	1	A1	3145	3006	0.956	438	2630
		4	A1	1193	1120	0.939	438	2631
		7	A2	1186	1300	1.096	438	2632
		10	B1	1191	1142	0.959	438	2633
		13	B2	1528	1472	0.964	438	2634
CH3CH(CH3)CH3	Isobutane	3	A1	3055	2880	0.943	439	2635
		6	A1	1223	1177	0.962	439	2636
		9	A2	3147	2962	0.941	439	2637
		15	E	3063	2894	0.945	439	2638
		18	E	1429	1371	0.960	439	2639
		21	E	994	966	0.972	439	2640
CH3CHClCH3	Propane, 2-chloro-	6	A'	1526	1454	0.953	440	2641
		9	A'	1207	1163	0.964	440	2642
		12	A'	653	633	0.969	440	2643
		15	A'	293	253	0.865	440	2644
		18	A"	3089	2947	0.954	440	2645
		26	A"	325	317	0.974	440	2646
CH2CCl2	Ethene, 1,1-dichloro-	3	A1	1425	1400	0.982	441	2647
		6	A2	707	686	0.971	441	2648
		9	B2	3311	3130	0.945	441	2649
CH3COCl	Acetyl Chloride	1	A'	3212	3027	0.942	442	2650
		4	A'	1491	1415	0.949	442	2651
		7	A'	987	956	0.968	442	2652
		15	A"	115	166	1.448	442	2653
CH3CHF2	Ethane, 1,1-difluoro-	4	A'	1519	1457	0.959	443	2654
		7	A'	1207	1171	0.971	443	2655
		10	A'	578	569	0.985	443	2656
		13	A"	1526			443	2657
		16	A"	996	942	0.946	443	2658
CH2CF2	Ethene, 1,1-difluoro-	1	A1	3245	3070	0.946	444	2659
		9	B2	3347	3154	0.942	444	2660
		12	B2	436	438	1.004	444	2661
CCl2O	Phosgene	2	A1	584	567	0.971	445	2662
CHF3	Methane, trifluoro-	1	A1	3223	3036	0.942	446	2663
		4	E	1457	1372	0.942	446	2664
N(CH3)3	Trimethylamine	1	A1	3112	2953	0.949	447	2665
		9	A2	1516	1453	0.958	447	2666
		12	E	3158	2981	0.944	447	2667
		15	E	1540	1471	0.955	447	2668
		22	E	267	281	1.052	447	2669
CFCl3	Trichloromonofluoromethane	4	E	876	847	0.967	448	2670
CF2Cl2	difluorodichloromethane	1	A1	1185	1101	0.929	449	2671
		4	A1	260	262	1.009	449	2672
		7	B1	440	437	0.994	449	2673
CF3Cl	Methane, chlorotrifluoro-	4	E	1332	1212	0.910	450	2674
CF4	Carbon tetrafluoride	2	E	435	435	1.000	451	2675
C2F6	hexafluoroethane	9	Eg	383	380	0.993	452	2676
		12	Eu	211	216	1.026	452	2677
C5H8	1,3-Butadiene, 2-methyl-	2	A'	3272	3095	0.946	453	2678
		10	A'	1529	1464	0.957	453	2679
		13	A'	1434	1363	0.951	453	2680
		16	A'	1096	1072	0.978	453	2681
		19	A'	811	770	0.950	453	2682
		22	A'	281	196	0.697	453	2683
		30	A"	656	615	0.938	453	2684
CHOCH(CH3)CH3	Propanal, 2-methyl-	2	A'	3154	2953	0.936	454	2685
		5	A'	2945	2757	0.936	454	2686
		8	A'	1534	1449	0.945	454	2687
		19	A'	244	212	0.871	454	2688
		22	A"	3074	2885	0.939	454	2689
		25	A"	1424	1437	1.009	454	2690
		28	A"	1007	965	0.958	454	2691
		31	A"	339	351	1.036	454	2692
CH2ClCHClCH3	Propane, 1,2-dichloro-	8	A	1518	1459	0.961	455	2693
		11	A	1398	1347	0.964	455	2694
		14	A	1239	1181	0.953	455	2695
		17	A	1048	1023	0.976	455	2696
		20	A	784	750	0.957	455	2697
CH3COCH2CH3	2-Butanone	3	A'	3091	2910	0.941	456	2698
		6	A'	1885	1716	0.910	456	2699
		9	A'	1483	1413	0.953	456	2700
		12	A'	1391	1263	0.908	456	2701
		15	A'	1018	997	0.979	456	2702
		18	A'	597	590	0.989	456	2703
		26	A"	1291	1263	0.978	456	2704
		29	A"	754	768	1.019	456	2705
		32	A"	69	106	1.537	456	2706
CHClCCl2	Trichloroethylene	1	A'	3274	3082	0.941	457	2707
		9	A'	176	178	1.013	457	2708
		12	A"	202	215	1.063	457	2709
CH3COOCH3	methyl acetate	3	A'	3104	2966	0.955	458	2710
		6	A'	1529	1460	0.955	458	2711
		14	A'	894	844	0.945	458	2712
		17	A'	295	303	1.028	458	2713
		20	A"	1517	1460	0.963	458	2714
		23	A"	1076	1036	0.963	458	2715
		26	A"	108	136	1.261	458	2716
C6H5CHO	benzaldehyde	7	A'	1871	1728	0.924	459	2717
		10	A'	1555	1492	0.960	459	2718
		13	A'	1369	1314	0.960	459	2719
		16	A'	1199	1168	0.974	459	2720
		19	A'	1065	1026	0.963	459	2721
		30	A"	875	852	0.974	459	2722
		33	A"	465	450	0.968	459	2723
		36	A"	123	111	0.905	459	2724
CH2CHCHCH2	1,3-Butadiene	1	Ag	3269	3087	0.944	460	2725
		4	Ag	1769	1630	0.921	460	2726
		7	Ag	1239	1196	0.965	460	2727
		10	Au	1068	1013	0.949	460	2728
		13	Au	162	162	0.997	460	2729
		21	Bu	1436	1381	0.962	460	2730
		24	Bu	292	301	1.029	460	2731
CHCCH2CH3	1-Butyne	8	A'	1441	1385	0.961	461	2732
		11	A'	1049	1008	0.961	461	2733
		14	A'	532	509	0.957	461	2734
		17	A"	3126	2939	0.940	461	2735
		20	A"	1123	1090	0.970	461	2736
CH2ClCH2Cl	Ethane, 1,2-dichloro-	3	Ag	1382	1304	0.944	462	2737
		6	Ag	309	300	0.971	462	2738
		14	Bu	3166	2983	0.942	462	2739
		17	Bu	764	728	0.953	462	2740
C3H3N	acrylonitrile	3	A'	3197	3042	0.951	463	2741
		6	A'	1461	1416	0.970	463	2742
		9	A'	891	869	0.976	463	2743
C3H6O	2-Propen-1-ol	5	A	3067	2934	0.957	464	2744
		8	A	1545	1453	0.941	464	2745
		11	A	1324	1320	0.997	464	2746
		14	A	1175	1132	0.963	464	2747
		17	A	989	995	1.006	464	2748
		20	A	666	606	0.909	464	2749
C2H2O2	Ethanedial	9	Bu	3058	2835	0.927	465	2750
		12	Bu	341	339	0.995	465	2751
CH3OCHO	methyl formate	1	A'	3229	3045	0.943	466	2752
		4	A'	1892	1754	0.927	466	2753
		12	A'	327	318	0.972	466	2754
		15	A"	1195	1168	0.977	466	2755
		18	A"	183	130	0.709	466	2756
C6H5Cl	chlorobenzene	6	A1	1207	1174	0.972	467	2757
		9	A1	1016	1003	0.988	467	2758
		12	A2	991	961	0.970	467	2759
		15	B1	1017	981	0.965	467	2760
		18	B1	706	685	0.969	467	2761
		21	B2	3243	3098	0.955	467	2762
		29	B2	625	615	0.984	467	2763
C5H12	Pentane	2	A1	3082	2892	0.938	468	2764
		5	A1	1544	1480	0.958	468	2765
		8	A1	1445	1379	0.954	468	2766
		11	A1	1080	1036	0.959	468	2767
		14	A1	181	179	0.991	468	2768
		22	A2	262	210	0.802	468	2769
		25	B1	3118	2930	0.940	468	2770
		28	B1	1345	1303	0.969	468	2771
		31	B1	738	727	0.985	468	2772
		34	B2	3162	2965	0.938	468	2773
		42	B2	1107	1073	0.969	468	2774
		45	B2	402	406	1.009	468	2775
CH3CH2CH2CN	Butanenitrile	3	A'	3096	2888	0.933	469	2776
		6	A'	1539	1472	0.957	469	2777
		9	A'	1446	1393	0.963	469	2778
		17	A'	355	358	1.007	469	2779
		20	A"	3149	2964	0.941	469	2780
		23	A"	1343	1267	0.943	469	2781
		26	A"	890	871	0.978	469	2782
		29	A"	246			469	2783
C3H2N2	Malononitrile	3	A1	1476	1395	0.945	470	2784
		6	A1	154	167	1.087	470	2785
		9	B1	3159	2968	0.939	470	2786
		12	B2	2460	2275	0.925	470	2787
		15	B2	388	366	0.944	470	2788
C4H5N	Pyrrole	3	A1	3281	3128	0.953	471	2789
		6	A1	1204	1148	0.954	471	2790
		9	A1	902	882	0.978	471	2791
		12	A2	635	614	0.968	471	2792
		15	B1	649	621	0.956	471	2793
C4H8O	Furan, tetrahydro-	5	A	1574	1488	0.946	472	2794
		8	A	1366	1308	0.957	472	2795
		11	A	1189	1142	0.961	472	2796
		14	A	955	895	0.937	472	2797
		17	A	268	286	1.066	472	2798
		25	B	1331	1292	0.971	472	2799
		28	B	1169	1070	0.916	472	2800
		31	B	903	865	0.958	472	2801
C4H4O	Furan	3	A1	1562	1491	0.955	473	2802
		6	A1	1123	1066	0.949	473	2803
		9	A2	908	838	0.923	473	2804
		12	B1	868	863	0.994	473	2805
		20	B2	1090	1040	0.954	473	2806
C4H4S	Thiophene	4	A1	1428	1360	0.952	474	2807
		7	A1	860	872	1.014	474	2808
		10	A2	723	688	0.952	474	2809
		13	B1	755	712	0.943	474	2810
		16	B2	3263	3086	0.946	474	2811
C6H14	Hexane	2	Ag	3071	2877	0.937	475	2812
		5	Ag	1538	1460	0.950	475	2813
		16	Ag	298	305	1.023	475	2814
		19	Au	3091	2920	0.945	475	2815
		22	Au	1264	1222	0.967	475	2816
		25	Au	732	726	0.992	475	2817
		28	Au	62	61	0.990	475	2818
		36	Bg	911	894	0.981	475	2819
		39	Bg	145	125	0.862	475	2820
		42	Bu	3067	2867	0.935	475	2821
		45	Bu	1529	1465	0.958	475	2822
		48	Bu	1408	1375	0.977	475	2823
C4H4N2	Succinonitrile	5	Ag	1059	1023	0.966	476	2824
		8	Ag	228	187	0.821	476	2825
		11	Au	780	760	0.974	476	2826
		14	Bg	3164	2982	0.943	476	2827
		17	Bg	378	387	1.024	476	2828
C6H12	Cyclohexane	2	A1g	3054	2852	0.934	477	2829
		5	A1g	829	802	0.968	477	2830
		13	A2u	3062	2860	0.934	477	2831
		16	A2u	521	523	1.005	477	2832
		18	Eg	3059	2897	0.947	477	2833
		21	Eg	1308	1266	0.968	477	2834
		25	Eu	3111	2933	0.943	477	2835
		28	Eu	1400	1355	0.968	477	2836
		31	Eu	886	863	0.974	477	2837
		2	A	3122	2852	0.914	477	2838
		5	A	3075	802	0.261	477	2839
		13	A	1310	2860	2.182	477	2840
		16	A	1076	523	0.486	477	2841
		19	A	914	2897	3.171	477	2842
		25	A	121	1266	10.478	477	2843
		33	B	1519	2933	1.931	477	2844
		39	B	1189	1355	1.140	477	2845
		45	B	886	863	0.975	477	2846
C5H5N	Pyridine	3	A1	3206	3030	0.945	478	2847
		11	A2	1023	980	0.958	478	2848
		14	B1	1028	1007	0.979	478	2849
		17	B1	723	700	0.968	478	2850
		20	B2	3207	3042	0.949	478	2851
		23	B2	1396	1362	0.976	478	2852
		26	B2	1102	1079	0.979	478	2853
C3H6O3	1,3,5-Trioxane	1	A1	3213	3020	0.940	479	2854
		4	A1	1264	1168	0.924	479	2855
		7	A1	483	476	0.985	479	2856
		10	A2	1059			479	2857
		16	E	1247	1168	0.937	479	2858
		19	E	541	524	0.968	479	2859
C5H11N	Piperidine	8	A'	1535	1476	0.961	480	2860
		11	A'	1448	1386	0.957	480	2861
		14	A'	1303	1266	0.972	480	2862
		17	A'	1069	1006	0.941	480	2863
		20	A'	848	822	0.969	480	2864
		28	A"	3081	2850	0.925	480	2865
		31	A"	1504	1460	0.971	480	2866
		34	A"	1382	1318	0.954	480	2867
		37	A"	1207	1191	0.986	480	2868
		40	A"	1084	1052	0.971	480	2869
		8	A'	1528	1476	0.966	480	2870
		11	A'	1417	1386	0.978	480	2871
		14	A'	1297	1266	0.976	480	2872
		17	A'	1029	1006	0.977	480	2873
		20	A'	839	822	0.980	480	2874
		28	A"	3064	2850	0.930	480	2875
		31	A"	1507	1460	0.969	480	2876
		34	A"	1389	1318	0.949	480	2877
		37	A"	1240	1191	0.960	480	2878
		40	A"	1082	1052	0.972	480	2879
CH2CHCH3	Propene	1	A'	3263	3090	0.947	481	2880
		4	A'	3158	2954	0.935	481	2881
		7	A'	1522	1470	0.966	481	2882
		10	A'	1337	1297	0.970	481	2883
		13	A'	946	920	0.973	481	2884
		21	A"	191	174	0.910	481	2885
CH3OCH3	Dimethyl ether	2	A1	3036	2817	0.928	482	2886
		5	A1	1289	1244	0.965	482	2887
		8	A2	3084	2952	0.957	482	2888
		11	A2	223	203	0.908	482	2889
CH2C(CH3)CH3	1-Propene, 2-methyl-	1	A1	3183	2989	0.939	483	2890
		4	A1	1776	1661	0.935	483	2891
		12	A2	1506	1459	0.969	483	2892
		15	A2	180	193	1.075	483	2893
		18	B1	1119	1079	0.964	483	2894
		21	B1	222	196	0.882	483	2895
		24	B2	3067	2893	0.943	483	2896
CH3CH2CHO	Propanal	3	A'	3069	2895	0.943	484	2897
		6	A'	1526	1460	0.957	484	2898
		14	A'	676	668	0.989	484	2899
		17	A"	3100	2942	0.949	484	2900
		20	A"	1161	1118	0.963	484	2901
		23	A"	228	220	0.965	484	2902
C4H9N	Pyrrolidine	2	A'	3167	2975	0.939	485	2903
		5	A'	2997	2824	0.942	485	2904
		8	A'	1418	1292	0.911	485	2905
		11	A'	1244	1181	0.949	485	2906
		19	A'	316	299	0.947	485	2907
		22	A"	3104	2879	0.928	485	2908
		25	A"	1510	1412	0.935	485	2909
		28	A"	1323	1211	0.916	485	2910
		31	A"	1161	1099	0.947	485	2911
C4H8O2	1,4-Dioxane	1	Ag	3153	2968	0.941	486	2912
		4	Ag	1453	1397	0.961	486	2913
		7	Ag	1061	1015	0.957	486	2914
		15	Au	1306	1256	0.962	486	2915
		18	Au	917	881	0.961	486	2916
		21	Bg	3048	2856	0.937	486	2917
		24	Bg	1259	1217	0.966	486	2918
		27	Bg	488	490	1.004	486	2919
		35	Bu	612	610	0.997	486	2920
CO2	Carbon dioxide	1	Σg	1422	1333	0.938	487	2921
C5H8	Cyclopentene	1	A'	3254	3066	0.942	488	2922
		4	A'	3094	2902	0.938	488	2923
		12	A'	1084	1048	0.967	488	2924
		15	A'	836	904	1.081	488	2925
		18	A'	155	254	1.644	488	2926
		21	A"	3062	2927	0.956	488	2927
		24	A"	1346	1356	1.007	488	2928
		32	A"	781	702	0.899	488	2929
C2H5N	Aziridine	6	A'	1279	1211	0.947	489	2930
		9	A'	922	856	0.928	489	2931
		12	A"	3153	3015	0.956	489	2932
		15	A"	1168	1131	0.968	489	2933
		18	A"	931	817	0.878	489	2934
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1	A1	3278	3077	0.939	490	2935
		4	A1	748	711	0.950	490	2936
		7	A2	419	406	0.969	490	2937
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	3	Ag	1320	1274	0.965	491	2938
		6	Au	954	900	0.943	491	2939
		9	Bu	3261	3090	0.948	491	2940
		12	Bu	230	250	1.086	491	2941
C4H6	Bicyclo[1.1.0]butane	1	A1	3290	3131	0.952	492	2942
		4	A1	1564	1501	0.960	492	2943
		12	A2	953	909	0.953	492	2944
		15	B1	1198	1110	0.926	492	2945
		18	B1	789	737	0.934	492	2946
		21	B2	1519	1485	0.977	492	2947
		24	B2	961	935	0.974	492	2948
C5H8	Spiropentane	1	A1	3161	3000	0.949	493	2949
		4	A1	1068	1037	0.971	493	2950
		7	A2	1179	1174	0.996	493	2951
		10	B1	1190	1166	0.980	493	2952
		13	B2	3161	3000	0.949	493	2953
		21	E	1205	1150	0.954	493	2954
		24	E	784	780	0.995	493	2955
C8H8	cubane	2	A1g	1043	1002	0.961	494	2956
		5	Eg	1161	1083	0.933	494	2957
		9	T1g	1180	1130	0.958	494	2958
		10	T1u	3190	2978	0.934	494	2959
		11	T1u	1307	1230	0.941	494	2960
		12	T1u	897	853	0.951	494	2961
		13	T2g	3183	2970	0.933	494	2962
C3H6S	Thietane	6	A'	1507	1452	0.964	495	2963
		9	A'	1002	975	0.973	495	2964
		12	A'	715	700	0.980	495	2965
		15	A"	3184	2994	0.940	495	2966
		18	A"	1330	1281	0.963	495	2967
		21	A"	1045	1011	0.968	495	2968
C3H4N2	1H-Pyrazole	3	A'	3287	3137	0.954	496	2969
		6	A'	1530	1447	0.946	496	2970
		9	A'	1308	1254	0.959	496	2971
		12	A'	1079	1054	0.976	496	2972
		15	A'	925	908	0.982	496	2973
C3H3NO	Isoxazole	1	A'	3335	3140	0.942	497	2974
		4	A'	1661	1653	0.995	497	2975
		7	A'	1282	1373	1.071	497	2976
		10	A'	1059	1089	1.028	497	2977
		18	A"	617	595	0.965	497	2978
C3H4N2	1H-Imidazole	2	A'	3311	3143	0.949	498	2979
		5	A'	1610	1448	0.899	498	2980
		13	A'	1097	988	0.901	498	2981
		16	A"	892	831	0.932	498	2982
		19	A"	689	663	0.962	498	2983
C3H3NO	Oxazole	8	A'	1227	1139	0.928	499	2984
		11	A'	1109	1046	0.943	499	2985
		14	A"	885	907	1.024	499	2986
		17	A"	674	647	0.960	499	2987
C2H3N3	1H-1,2,4-Triazole	1	A'	3682			500	2988
		4	A'	1611	1540	0.956	500	2989
		7	A'	1368	1390	1.016	500	2990
		15	A"	870	885	1.017	500	2991
		18	A"	574	640	1.114	500	2992
CH2N4	1H-Tetrazole	6	A'	1311	1159	0.884	501	2993
		9	A'	1106	1002	0.906	501	2994
		12	A"	881	906	1.028	501	2995
		15	A"	597	578	0.968	501	2996
C4H4N2	Pyridazine	4	A1	1515	1414	0.933	502	2997
		7	A1	1124	1063	0.946	502	2998
		10	A2	1041	936	0.899	502	2999
		13	A2	381	421	1.105	502	3000
		16	B1	388	370	0.954	502	3001
		24	B2	632	664	1.050	502	3002
C4H4N2	1,3-Diazine	2	A1	3219	3053	0.949	503	3003
		5	A1	1471	1465	0.996	503	3004
		8	A1	1030	969	0.941	503	3005
		16	B1	359	347	0.967	503	3006
		19	B2	1526	1411	0.924	503	3007
		22	B2	1238	1158	0.936	503	3008
C4H4N2	Pyrazine	3	Ag	1272	1233	0.970	504	3009
		11	B1u	1187	1130	0.952	504	3010
		14	B2g	783	756	0.966	504	3011
		17	B2u	1236	1149	0.929	504	3012
		20	B3g	1649	1525	0.925	504	3013
		23	B3u	817	785	0.961	504	3014
C3H3N3	1,3,5-Triazine	6	A2"	963	925	0.960	505	3015
		10	E'	1474	1410	0.957	505	3016
		13	E"	1058	830	0.785	505	3017
N2H4	Hydrazine	5	A	1171	1076	0.919	506	3018
		8	B	3595	3350	0.932	506	3019
		11	B	1336	1275	0.954	506	3020
C2H5SC2H5	Diethyl sulfide	3	A1	3085	2853	0.925	507	3021
		11	A1	337	334	0.990	507	3022
		14	A2	3136	2930	0.934	507	3023
		17	A2	1048			507	3024
		20	A2	67			507	3025
		23	B1	1525	1450	0.951	507	3026
		26	B1	806	780	0.967	507	3027
		34	B2	1434	1380	0.962	507	3028
		37	B2	1015	974	0.959	507	3029
CF2O	Carbonic difluoride	3	A1	586	584	0.996	508	3030
		6	B2	631	626	0.992	508	3031
CF3CN	Acetonitrile, trifluoro-	1	A1	2467	2275	0.922	509	3032
		7	E	475	463	0.974	509	3033
C2H4S	Thiirane	12	B2	3171	3013	0.950	510	3034
CH3CF3	Ethane, 1,1,1-trifluoro-	4	A1	868	828	0.954	511	3035
		7	E	3207	3042	0.949	511	3036
		10	E	1008	964	0.956	511	3037
C4H2	Diacetylene	3	Σg	927	874	0.942	512	3038
		6	Πg	793	627	0.791	512	3039
CH2CCH2	allene	3	A1	1134	1073	0.947	513	3040
		6	B2	2113	1957	0.926	513	3041
		11	E	389	355	0.912	513	3042
CH2CO	Ketene	6	B1	569	528	0.928	514	3043
		9	B2	443	433	0.978	514	3044
C5H12	Propane, 2,2-dimethyl-	1	A1	3079	2909	0.945	515	3045
		4	A2	265	198	0.747	515	3046
		6	E	1527	1451	0.950	515	3047
		9	T1	3151	2975	0.944	515	3048
C6H6	Fulvene	3	A1	3189	3008	0.943	516	3049
		14	A2	710	666	0.937	516	3050
		17	B1	962	907	0.943	516	3051
		20	B1	201			516	3052
		23	B2	3257	3075	0.944	516	3053
		26	B2	1269	1232	0.971	516	3054
CH3CCCH3	2-Butyne	10	E'	1511	1456	0.963	517	3055
		13	E"	3149	2966	0.942	517	3056
		16	E"	392	371	0.947	517	3057
C3H6O	Oxetane	1	A1	3143	2959	0.941	518	3058
		4	A1	1522	1461	0.960	518	3059
		7	A1	980	1018	1.039	518	3060
		15	B1	1216	1225	1.008	518	3061
		18	B1	79	90	1.144	518	3062
		21	B2	1330	1458	1.096	518	3063
		24	B2	970	936	0.965	518	3064
ClCN	chlorocyanogen	3	Π	397	378	0.952	519	3065
C5H10	2-Butene, 2-methyl-	1	A'	3185	3024	0.949	520	3066
		9	A'	1531	1471	0.961	520	3067
C5H6	1,3-Cyclopentadiene	1	A1	3282	3091	0.942	521	3068
		4	A1	1615	1500	0.929	521	3069
		7	A1	1143	1106	0.968	521	3070
		10	A1	813	802	0.987	521	3071
		18	B1	696	664	0.954	521	3072
		21	B2	3251	3043	0.936	521	3073
		24	B2	1289	1239	0.961	521	3074
		27	B2	812	805	0.991	521	3075
CH3COF	Acetyl fluoride	2	A'	3101	2955	0.953	522	3076
		5	A'	1429	1378	0.964	522	3077
		8	A'	891	826	0.927	522	3078
		11	A"	3175	3004	0.946	522	3079
		14	A"	570	567	0.995	522	3080
CH2CHCHClCH3	1-Butene, 3-chloro-	1	A	3283	3088	0.941	523	3081
		4	A	3183	2990	0.939	523	3082
		7	A	3085	2927	0.949	523	3083
		18	A	1059	1025	0.967	523	3084
		21	A	981	931	0.949	523	3085
		24	A	657	625	0.952	523	3086
		27	A	307	305	0.992	523	3087
		30	A	95	92	0.969	523	3088
CH3CHCHCH3	2-Butene, (Z)-	2	A1	3173	2965	0.934	524	3089
		5	A1	1528	1448	0.947	524	3090
		13	A2	1075	1037	0.965	524	3091
		19	B1	1078	986	0.915	524	3092
		22	B2	3171	3033	0.956	524	3093
		25	B2	1520	1448	0.952	524	3094
CH2CCHCH3	1,2-Butadiene	7	A'	1506	1437	0.954	525	3095
		10	A'	1171	1132	0.967	525	3096
		13	A'	890	859	0.965	525	3097
		16	A"	3247	3061	0.943	525	3098
		19	A"	1073	1110	1.034	525	3099
CH3F	Methyl fluoride	6	E	1217	1182	0.971	526	3100
CH3PH2	Methyl phosphine	3	A'	2481	2297	0.926	527	3101
		6	A'	1156	1086	0.940	527	3102
		9	A'	692	677	0.978	527	3103
C5H8	1,2-Butadiene, 3-methyl-	8	A1	1343	1286	0.957	528	3104
		11	A1	341	349	1.022	528	3105
		14	A2	1011	985	0.975	528	3106
		17	B1	3245	3051	0.940	528	3107
		20	B1	1112	1068	0.960	528	3108
		23	B1	273	187	0.684	528	3109
		31	B2	905	848	0.938	528	3110
CH3NO3	Methyl nitrate	2	A'	3120	2941	0.943	529	3111
		5	A'	1503	1430	0.951	529	3112
		8	A'	1110	1017	0.917	529	3113
		11	A'	618	578	0.935	529	3114
		14	A"	1508	1455	0.965	529	3115
		17	A"	209			529	3116
C5H6S	Thiophene, 3-methyl-	3	A'	3229	3062	0.948	530	3117
		6	A'	1653	1543	0.933	530	3118
		9	A'	1452	1385	0.954	530	3119
		20	A'	316	329	1.042	530	3120
		23	A"	1074	1036	0.965	530	3121
		26	A"	699	685	0.981	530	3122
		29	A"	235	238	1.013	530	3123
CH3CHCHCH3	2-Butene, (E)-	2	Ag	3151	2954	0.937	531	3124
		10	Ag	509	501	0.984	531	3125
		13	Au	1084	1057	0.975	531	3126
		19	Bg	1086	1039	0.957	531	3127
		22	Bu	3168	3021	0.953	531	3128
		30	Bu	290	261	0.899	531	3129
CH3SCH2CH3	Ethane, (methylthio)-	6	A'	1532	1461	0.953	532	3130
		9	A'	1439	1377	0.957	532	3131
		12	A'	1111	1060	0.954	532	3132
		15	A'	764	727	0.951	532	3133
		18	A'	196	227	1.158	532	3134
		26	A"	985	954	0.968	532	3135
		29	A"	160			532	3136
CH3ONO	Methyl nitrite	1	A'	3230	3037	0.940	533	3137
		4	A'	1521	1454	0.956	533	3138
		7	A'	1098	991	0.903	533	3139
		10	A'	389	346	0.889	533	3140
CH3SSCH3	Disulfide, dimethyl	2	A	3187	2983	0.936	534	3141
		5	A	1497	1419	0.948	534	3142
		13	A	94	117	1.240	534	3143
		16	B	3095	2915	0.942	534	3144
		19	B	1383	1303	0.942	534	3145
		22	B	721	691	0.958	534	3146
C6H10	2-Hexyne	2	A'	3150	2955	0.938	535	3147
		5	A'	3076	2903	0.944	535	3148
		13	A'	1437	1382	0.962	535	3149
		16	A'	1185	1135	0.958	535	3150
		19	A'	1062	1032	0.972	535	3151
		22	A'	507	478	0.942	535	3152
		25	A'	100	115	1.151	535	3153
		33	A"	1273	1231	0.967	535	3154
		36	A"	877	866	0.987	535	3155
		39	A"	230	238	1.034	535	3156
		42	A"	103i			535	3157
C3H7N	Cyclopropylamine	2	A'	3275	3100	0.947	536	3158
		5	A'	1697	1617	0.953	536	3159
		13	A'	845	805	0.952	536	3160
		16	A"	3601	3412	0.947	536	3161
		19	A"	1476	1424	0.965	536	3162
		22	A"	1139	1026	0.901	536	3163
		25	A"	849	830	0.978	536	3164
C6H8	1,3,5-Hexatriene, (E)-	8	Ag	1338	1288	0.962	537	3165
		11	Ag	954	934	0.979	537	3166
		14	Au	1067	1013	0.949	537	3167
		17	Au	722	683	0.946	537	3168
		20	Bg	1040	988	0.950	537	3169
		23	Bg	622			537	3170
		31	Bu	1340	1295	0.967	537	3171
		34	Bu	986	963	0.976	537	3172
C4H6	Cyclobutene	1	A1	3240	3060	0.945	538	3173
		4	A1	1520	1450	0.954	538	3174
		7	A1	1020	1113	1.091	538	3175
		10	A2	1193	1276	1.070	538	3176
		13	A2	297	325	1.093	538	3177
		24	B2	853	740	0.868	538	3178
H2CS	Thioformaldehyde	2	A1	1535	1456	0.948	539	3179
		5	B2	3219	3025	0.940	539	3180
CH3SiH3	methyl silane	6	A2	181	187	1.033	540	3181
		8	E	2250	2169	0.964	540	3182
		11	E	896	868	0.968	540	3183
C4N2	2-Butynedinitrile	2	Σg	2297	2119	0.922	541	3184
		5	Σu	1198	1154	0.964	541	3185
		7	Πg	288	263	0.915	541	3186
MgO	magnesium oxide	1	Σ	863	785	0.910	542	3187
LiOH	lithium hydroxide	2	Σ	1035	871	0.841	543	3188
NaOH	sodium hydroxide	3	Π	203	300	1.479	544	3189
Si2H6	disilane	3	A1g	444	434	0.977	545	3190
		6	A2u	840	844	1.005	545	3191
		8	Eg	949	929	0.979	545	3192
		11	Eu	963	940	0.975	545	3193
CCl2	dichloromethylene	3	B2	751	758	1.009	546	3194
C5H10S	2H-Thiopyran, tetrahydro-	5	A'	3071	2878	0.937	547	3195
		8	A'	1507	1440	0.956	547	3196
		11	A'	1359	1299	0.956	547	3197
		14	A'	1095	1061	0.969	547	3198
		17	A'	846	826	0.977	547	3199
		25	A"	3119	2929	0.939	547	3200
		28	A"	1500	1433	0.955	547	3201
		31	A"	1385	1313	0.948	547	3202
		34	A"	1182	1141	0.965	547	3203
		37	A"	963	929	0.964	547	3204
C3H5	Allyl radical	10	B1	1022	968	0.947	548	3205
		13	B2	3293	3105	0.943	548	3206
		16	B2	1422	1389	0.977	548	3207
C5H8	1,3-Pentadiene, (E)-	5	A'	3172	3015	0.950	549	3208
		8	A'	1784	1661	0.931	549	3209
		11	A'	1473	1422	0.965	549	3210
		14	A'	1335	1299	0.973	549	3211
		17	A'	1121	1037	0.925	549	3212
		28	A"	955	899	0.941	549	3213
		31	A"	262	361	1.380	549	3214
CH2NH	Methanimine	4	A'	1773	1638	0.924	550	3215
		7	A'	1084	1058	0.976	550	3216
CF2	Difluoromethylene	2	A1	686	667	0.973	551	3217
CF3	Trifluoromethyl radical	3	E	1350	1260	0.933	552	3218
C4H9N	Cyclobutylamine	1	A'	3492	3345	0.958	553	3219
		4	A'	3116	2918	0.936	553	3220
		7	A'	1692	1614	0.954	553	3221
		10	A'	1411	1390	0.985	553	3222
		18	A'	840	752	0.895	553	3223
		21	A'	183	174	0.953	553	3224
		24	A"	3095	2957	0.955	553	3225
		27	A"	1290	1185	0.918	553	3226
		30	A"	1172			553	3227
		33	A"	941	883	0.939	553	3228
SF6	Sulfur Hexafluoride	2	Eg	692	642	0.927	554	3229
HCO	Formyl radical	3	A'	1134	1081	0.953	555	3230
ClNO	Nitrosyl chloride	1	A'	2004	1800	0.898	556	3231
C3H4	cyclopropene	3	A1	1794	1653	0.921	557	3232
		6	A1	940	905	0.963	557	3233
		9	B1	3165	2995	0.946	557	3234
		12	B2	3291	3124	0.949	557	3235
		15	B2	845	769	0.910	557	3236
C4H8O	Cyclobutanol	3	A'	3159	2979	0.943	558	3237
		6	A'	3091	2875	0.930	558	3238
		9	A'	1462	1393	0.953	558	3239
		17	A'	768	750	0.977	558	3240
		20	A'	197	170	0.862	558	3241
		23	A"	1503	1438	0.957	558	3242
		26	A"	1260	1160	0.921	558	3243
		29	A"	952	927	0.973	558	3244
NF2	Difluoroamino radical	3	B2	1077	942	0.875	559	3245
CF	Fluoromethylidyne	1	Σ	1377	1308	0.950	560	3246
SiH2Cl2	dichlorosilane	3	A1	535	527	0.985	561	3247
		6	B1	2338	2237	0.957	561	3248
		9	B2	598	590	0.987	561	3249
CHOCHCHCH3	2-Butenal	9	A'	1442	1391	0.965	562	3250
		12	A'	1283	1253	0.977	562	3251
		15	A'	956	973	1.018	562	3252
		18	A'	207	230	1.111	562	3253
		21	A"	1087	1042	0.959	562	3254
C4H5N	Cyclopropanecarbonitrile	2	A'	3221	3052	0.947	563	3255
		10	A'	998	941	0.943	563	3256

How do we calculate the scaling factor?