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

Vibrational frequency scaling factors

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

Scale factor	How many		Source
	Molecules	Vibrations
0.952 ± 0.022	229	1853	cccbdb

Jump to histogram

Formula	Name	Mode	Symmetry	Frequency			Count
				Theory	Experiment	ratio	molecules	vibrations
H2CO	Formaldehyde	1	A1	2976	2782	0.935	1	1
		2	A1	1819	1746	0.960	1	2
		3	A1	1574	1500	0.953	1	3
		4	B1	1201	1167	0.972	1	4
		5	B2	3039	2843	0.935	1	5
		6	B2	1292	1249	0.967	1	6
CCl4	Carbon tetrachloride	1	A1	477	459	0.963	2	7
		2	E	231	217	0.939	2	8
		3	T2	837	776	0.927	2	9
		4	T2	332	314	0.947	2	10
C3H4O2	β–Propiolactone	1	A'	3128	3001	0.959	3	11
		2	A'	3120	2935	0.941	3	12
		3	A'	1955	1882	0.963	3	13
		4	A'	1575	1475	0.937	3	14
		5	A'	1512	1427	0.944	3	15
		6	A'	1381	1319	0.955	3	16
		7	A'	1268	1199	0.945	3	17
		8	A'	1153	1093	0.948	3	18
		9	A'	1043	1005	0.963	3	19
		10	A'	979	924	0.943	3	20
		11	A'	921	891	0.968	3	21
		12	A'	762	746	0.979	3	22
		13	A'	499	513	1.029	3	23
		14	A"	3191	3028	0.949	3	24
		15	A"	3177	3000	0.944	3	25
		16	A"	1230	1184	0.963	3	26
		17	A"	1179	1139	0.966	3	27
		18	A"	1090	1046	0.959	3	28
		19	A"	824	790	0.959	3	29
		20	A"	522	490	0.938	3	30
		21	A"	177	113	0.640	3	31
HCOOH	Formic acid	1	A'	3695	3570	0.966	4	32
		2	A'	3136	2943	0.938	4	33
		3	A'	1861	1770	0.951	4	34
		4	A'	1441	1387	0.963	4	35
		5	A'	1353	1229	0.909	4	36
		6	A'	1164	1105	0.949	4	37
		7	A'	632	625	0.989	4	38
		8	A"	1066	1033	0.969	4	39
		9	A"	699	638	0.913	4	40
CH3COOH	Acetic acid	1	A'	3708	3583	0.966	5	41
		2	A'	3207	3051	0.951	5	42
		3	A'	3093	2944	0.952	5	43
		4	A'	1876	1788	0.953	5	44
		5	A'	1525	1430	0.937	5	45
		6	A'	1468	1382	0.941	5	46
		7	A'	1396	1264	0.906	5	47
		8	A'	1257	1182	0.941	5	48
		9	A'	1036	989	0.955	5	49
		10	A'	887	847	0.955	5	50
		11	A'	589	657	1.115	5	51
		12	A'	426			5	52
		13	A"	3167	2996	0.946	5	53
		14	A"	1524	1430	0.938	5	54
		15	A"	1101	1048	0.952	5	55
		16	A"	689	642	0.932	5	56
		17	A"	552	534	0.967	5	57
		18	A"	95	93	0.982	5	58
CH3OH	Methyl alcohol	1	A'	3775	3681	0.975	6	59
		2	A'	3163	3000	0.949	6	60
		3	A'	3031	2844	0.938	6	61
		4	A'	1561	1477	0.946	6	62
		5	A'	1527	1455	0.953	6	63
		6	A'	1423	1345	0.946	6	64
		7	A'	1108	1060	0.956	6	65
		8	A'	1084	1033	0.953	6	66
		9	A"	3086	2960	0.959	6	67
		10	A"	1547	1477	0.955	6	68
		11	A"	1196	1165	0.974	6	69
		12	A"	345	200	0.580	6	70
CH3COCH3	Acetone	1	A1	3188	3019	0.947	7	71
		2	A1	3072	2937	0.956	7	72
		3	A1	1826	1731	0.948	7	73
		4	A1	1523	1435	0.942	7	74
		5	A1	1441	1364	0.947	7	75
		6	A1	1112	1066	0.959	7	76
		7	A1	811	777	0.958	7	77
		8	A1	383	385	1.006	7	78
		9	A2	3133	2963	0.946	7	79
		10	A2	1516	1426	0.940	7	80
		11	A2	922	877	0.952	7	81
		12	A2	61	77	1.253	7	82
		13	B1	3139	2972	0.947	7	83
		14	B1	1536	1454	0.947	7	84
		15	B1	1153	1091	0.946	7	85
		16	B1	492	484	0.984	7	86
		17	B1	138	125	0.905	7	87
		18	B2	3187	3019	0.947	7	88
		19	B2	3066	2937	0.958	7	89
		20	B2	1517	1410	0.929	7	90
		21	B2	1447	1364	0.943	7	91
		22	B2	1284	1216	0.947	7	92
		23	B2	926	891	0.962	7	93
		24	B2	539	530	0.983	7	94
CHCl3	Chloroform	1	A1	3219	3034	0.943	8	95
		2	A1	698	680	0.975	8	96
		3	A1	383	366	0.955	8	97
		4	E	1310	1220	0.931	8	98
		5	E	821	774	0.943	8	99
		6	E	274	260	0.948	8	100
C6H6	Benzene	1	A1g	3223	3062	0.950	9	101
		2	A1g	1030	992	0.963	9	102
		3	A2g	1394	1326	0.951	9	103
		4	A2u	692	673	0.973	9	104
		5	B1u	3186	3068	0.963	9	105
		6	B1u	1023	1010	0.987	9	106
		7	B2g	917	995	1.085	9	107
		8	B2g	582	703	1.208	9	108
		9	B2u	1322	1310	0.991	9	109
		10	B2u	1192	1150	0.965	9	110
		11	E1g	856	849	0.992	9	111
		12	E1u	3212	3063	0.954	9	112
		13	E1u	1547	1486	0.961	9	113
		14	E1u	1083	1038	0.958	9	114
		15	E2g	3196	3047	0.953	9	115
		16	E2g	1687	1596	0.946	9	116
		17	E2g	1227	1178	0.960	9	117
		18	E2g	624	606	0.971	9	118
		19	E2u	926	975	1.053	9	119
		20	E2u	403	410	1.017	9	120
CH4	Methane	1	A1	3065	2917	0.952	10	121
		2	E	1602	1534	0.957	10	122
		3	T2	3186	3019	0.948	10	123
		4	T2	1400	1306	0.933	10	124
C2H6	Ethane	1	A1g	3067	2896	0.944	11	125
		2	A1g	1483	1388	0.936	11	126
		3	A1g	1039	995	0.958	11	127
		4	A1u	323	289	0.896	11	128
		5	A2u	3065	2915	0.951	11	129
		6	A2u	1456	1370	0.941	11	130
		7	Eg	3127	2969	0.949	11	131
		8	Eg	1551	1468	0.947	11	132
		9	Eg	1261	1190	0.944	11	133
		10	Eu	3148	2974	0.945	11	134
		11	Eu	1556	1460	0.938	11	135
		12	Eu	843	822	0.975	11	136
C2H4	Ethylene	1	Ag	3188	3026	0.949	12	137
		2	Ag	1717	1623	0.945	12	138
		3	Ag	1402	1342	0.957	12	139
		4	Au	1057	1023	0.968	12	140
		5	B1u	3169	2989	0.943	12	141
		6	B1u	1510	1444	0.956	12	142
		7	B2g	935	940	1.005	12	143
		8	B2u	3269	3105	0.950	12	144
		9	B2u	846	826	0.976	12	145
		10	B3g	3246	3086	0.951	12	146
		11	B3g	1259	1217	0.967	12	147
		12	B3u	977	949	0.972	12	148
C2H2	Acetylene	1	Σg	3537	3374	0.954	13	149
		2	Σg	2052	1974	0.962	13	150
		3	Σu	3440	3289	0.956	13	151
		4	Πg	418	612	1.464	13	152
		5	Πu	751	730	0.972	13	153
CH3Cl	Methyl chloride	1	A1	3112	2966	0.953	14	154
		2	A1	1451	1355	0.933	14	155
		3	A1	767	732	0.955	14	156
		4	E	3213	3042	0.947	14	157
		5	E	1530	1455	0.951	14	158
		6	E	1073	1015	0.946	14	159
CH3NH2	methyl amine	1	A'	3484	3361	0.965	15	160
		2	A'	3108	2961	0.953	15	161
		3	A'	3014	2820	0.936	15	162
		4	A'	1731	1623	0.938	15	163
		5	A'	1548	1473	0.951	15	164
		6	A'	1504	1430	0.951	15	165
		7	A'	1219	1130	0.927	15	166
		8	A'	1091	1044	0.957	15	167
		9	A'	917	780	0.851	15	168
		10	A"	3571	3427	0.960	15	169
		11	A"	3149	2985	0.948	15	170
		12	A"	1566	1485	0.948	15	171
		13	A"	1393	1335	0.958	15	172
		14	A"	996	1195	1.200	15	173
		15	A"	336	268	0.797	15	174
HCN	Hydrogen cyanide	1	Σ	3487	3312	0.950	16	175
		2	Σ	2168	2089	0.964	16	176
		3	Π	727	712	0.980	16	177
CH3SH	Methanethiol	1	A'	3185	3000	0.942	17	178
		2	A'	3093	2931	0.947	17	179
		3	A'	2715	2597	0.956	17	180
		4	A'	1538	1475	0.959	17	181
		5	A'	1435	1335	0.930	17	182
		6	A'	1142	1074	0.941	17	183
		7	A'	829	803	0.968	17	184
		8	A'	745	708	0.950	17	185
		9	A"	3183	3000	0.942	17	186
		10	A"	1525	1430	0.938	17	187
		11	A"	1021	976	0.956	17	188
C3H8	Propane	1	A1	3136	2977	0.949	18	189
		2	A1	3059	2962	0.968	18	190
		3	A1	3056	2887	0.945	18	191
		4	A1	1564	1476	0.944	18	192
		5	A1	1544	1462	0.947	18	193
		6	A1	1474	1392	0.945	18	194
		7	A1	1214	1158	0.954	18	195
		8	A1	905	869	0.961	18	196
		9	A1	377	369	0.978	18	197
		10	A2	3126	2967	0.949	18	198
		11	A2	1541	1451	0.942	18	199
		12	A2	1350	1278	0.947	18	200
		13	A2	934	940	1.007	18	201
		14	A2	230	216	0.941	18	202
		15	B1	3136	2973	0.948	18	203
		16	B1	3088	2968	0.961	18	204
		17	B1	1557	1472	0.945	18	205
		18	B1	1258	1192	0.948	18	206
		19	B1	767	748	0.975	18	207
		20	B1	285	268	0.941	18	208
		21	B2	3133	2968	0.947	18	209
		22	B2	3056	2887	0.945	18	210
		23	B2	1547	1464	0.946	18	211
		24	B2	1463	1378	0.942	18	212
		25	B2	1411	1338	0.948	18	213
		26	B2	1100	1054	0.958	18	214
		27	B2	955	922	0.965	18	215
CH3CCH	propyne	1	A1	3492	3334	0.955	19	216
		2	A1	3072	2918	0.950	19	217
		3	A1	2233	2124	0.951	19	218
		4	A1	1466	1382	0.943	19	219
		5	A1	954	931	0.976	19	220
		6	E	3146	3008	0.956	19	221
		7	E	1532	1452	0.948	19	222
		8	E	1079	1053	0.976	19	223
		9	E	540	633	1.172	19	224
		10	E	266	328	1.233	19	225
CH3CH2Cl	Ethyl chloride	1	A'	3151	2967	0.942	20	226
		2	A'	3121	2946	0.944	20	227
		3	A'	3074	2881	0.937	20	228
		4	A'	1551	1463	0.944	20	229
		5	A'	1543	1448	0.939	20	230
		6	A'	1469	1385	0.943	20	231
		7	A'	1380	1289	0.934	20	232
		8	A'	1125	1081	0.961	20	233
		9	A'	1024	974	0.952	20	234
		10	A'	707	677	0.958	20	235
		11	A'	342	336	0.984	20	236
		12	A"	3185	3014	0.946	20	237
		13	A"	3161	2986	0.945	20	238
		14	A"	1536	1448	0.943	20	239
		15	A"	1316	1251	0.950	20	240
		16	A"	1126	974	0.865	20	241
		17	A"	810	786	0.971	20	242
		18	A"	275	251	0.912	20	243
CH2CHCl	Ethene, chloro-	1	A'	3288	3121	0.949	21	244
		2	A'	3253	3086	0.949	21	245
		3	A'	3196	3030	0.948	21	246
		4	A'	1701	1608	0.945	21	247
		5	A'	1444	1368	0.947	21	248
		6	A'	1343	1279	0.953	21	249
		7	A'	1074	1030	0.959	21	250
		8	A'	745	720	0.966	21	251
		9	A'	405	395	0.976	21	252
		10	A"	983	941	0.958	21	253
		11	A"	915	896	0.979	21	254
		12	A"	634	620	0.978	21	255
CH2CHF	Ethene, fluoro-	1	A'	3306	3115	0.942	22	256
		2	A'	3246	3080	0.949	22	257
		3	A'	3209	3052	0.951	22	258
		4	A'	1750	1654	0.945	22	259
		5	A'	1455	1380	0.949	22	260
		6	A'	1358	1306	0.962	22	261
		7	A'	1197	1156	0.965	22	262
		8	A'	959	929	0.969	22	263
		9	A'	484	483	0.998	22	264
		10	A"	965	940	0.974	22	265
		11	A"	868	863	0.994	22	266
		12	A"	729	711	0.975	22	267
CH3CH2NH2	Ethylamine	1	A'	3465	3345	0.965	23	268
		2	A'	3131	2985	0.953	23	269
		3	A'	3070	2840	0.925	23	270
		4	A'	3052	2860	0.937	23	271
		5	A'	1728	1622	0.939	23	272
		6	A'	1557	1487	0.955	23	273
		7	A'	1540	1465	0.952	23	274
		8	A'	1462	1378	0.942	23	275
		9	A'	1420	1397	0.984	23	276
		10	A'	1195	1016	0.850	23	277
		11	A'	1108	1086	0.980	23	278
		12	A'	951	892	0.938	23	279
		13	A'	904	773	0.855	23	280
		14	A'	411	403	0.980	23	281
		15	A"	3553	3412	0.960	23	282
		16	A"	3132	2924	0.934	23	283
		17	A"	3105	2906	0.936	23	284
		18	A"	1545	1455	0.942	23	285
		19	A"	1424	1238	0.869	23	286
		20	A"	1311	1293	0.986	23	287
		21	A"	1032	1117	1.082	23	288
		22	A"	794	816	1.027	23	289
		23	A"	317	259	0.816	23	290
		24	A"	268	218	0.813	23	291
CH3CN	Acetonitrile	1	A1	3092	2954	0.955	24	292
		2	A1	2356	2267	0.962	24	293
		3	A1	1464	1385	0.946	24	294
		4	A1	940	920	0.978	24	295
		5	E	3177	3009	0.947	24	296
		6	E	1526	1448	0.949	24	297
		7	E	1088	1041	0.956	24	298
		8	E	361	362	1.003	24	299
CH3CHO	Acetaldehyde	1	A'	3186	3014	0.946	25	300
		2	A'	3068	2923	0.953	25	301
		3	A'	2963	2716	0.917	25	302
		4	A'	1831	1743	0.952	25	303
		5	A'	1516	1433	0.945	25	304
		6	A'	1463	1395	0.954	25	305
		7	A'	1434	1352	0.943	25	306
		8	A'	1160	1114	0.960	25	307
		9	A'	920	867	0.942	25	308
		10	A'	514	509	0.990	25	309
		11	A"	3136	2964	0.945	25	310
		12	A"	1521	1431	0.941	25	311
		13	A"	1164	1102	0.947	25	312
		14	A"	796	764	0.960	25	313
		15	A"	143	150	1.052	25	314
CH3CH2SH	ethanethiol	1	A'	3149	2966	0.942	26	315
		2	A'	3097	2872	0.927	26	316
		3	A'	3072	2872	0.935	26	317
		4	A'	2714	2580	0.951	26	318
		5	A'	1554	1453	0.935	26	319
		6	A'	1545	1453	0.940	26	320
		7	A'	1469	1385	0.943	26	321
		8	A'	1366	1309	0.959	26	322
		9	A'	1150	1097	0.954	26	323
		10	A'	1031	978	0.948	26	324
		11	A'	896	870	0.971	26	325
		12	A'	705	660	0.937	26	326
		13	A'	313	332	1.059	26	327
		14	A"	3160	2966	0.938	26	328
		15	A"	3140	2930	0.933	26	329
		16	A"	1543	1453	0.941	26	330
		17	A"	1310	1269	0.968	26	331
		18	A"	1093	1049	0.959	26	332
		19	A"	814	745	0.915	26	333
CH2Cl2	Methylene chloride	1	A1	3165	2999	0.948	27	334
		2	A1	1518	1467	0.967	27	335
		3	A1	741	717	0.967	27	336
		4	A1	296	282	0.951	27	337
		5	A2	1234	1153	0.934	27	338
		6	B1	3240	3040	0.938	27	339
		7	B1	941	898	0.954	27	340
		8	B2	1364	1268	0.930	27	341
		9	B2	805	758	0.941	27	342
CH2F2	Methane, difluoro-	1	A1	3107	2948	0.949	28	343
		2	A1	1597	1508	0.944	28	344
		3	A1	1147	1111	0.969	28	345
		4	A1	523	529	1.010	28	346
		5	A2	1297	1262	0.973	28	347
		6	B1	3179	3014	0.948	28	348
		7	B1	1212	1178	0.972	28	349
		8	B2	1513	1435	0.948	28	350
		9	B2	1165	1090	0.936	28	351
HNCO	Isocyanic acid	1	A'	3708	3538	0.954	29	352
		2	A'	2338	2269	0.970	29	353
		3	A'	1329	1327	0.998	29	354
		4	A'	808	777	0.961	29	355
		5	A'	561	577	1.029	29	356
		6	A"	613	656	1.070	29	357
CS2	Carbon disulfide	1	Σg	678	658	0.970	30	358
		2	Σu	1558	1535	0.985	30	359
		3	Πu	402	397	0.987	30	360
CH3SCH3	Dimethyl sulfide	1	A1	3173	2998	0.945	31	361
		2	A1	3072	2930	0.954	31	362
		3	A1	1539	1444	0.938	31	363
		4	A1	1442	1331	0.923	31	364
		5	A1	1096	973	0.887	31	365
		6	A1	728	695	0.955	31	366
		7	A1	279	282	1.010	31	367
		8	A2	3157	2952	0.935	31	368
		9	A2	1512	1420	0.939	31	369
		10	A2	1002	919	0.918	31	370
		12	B1	3152	2970	0.942	31	371
		13	B1	1523	1439	0.945	31	372
		14	B1	1038	973	0.937	31	373
		15	B1	189	182	0.962	31	374
		16	B2	3173	2998	0.945	31	375
		17	B2	3075	2930	0.953	31	376
		18	B2	1530	1444	0.944	31	377
		19	B2	1417	1315	0.928	31	378
		20	B2	958	903	0.943	31	379
		21	B2	784	743	0.948	31	380
C3H6	Cyclopropane	1	A1'	3179	3038	0.956	32	381
		2	A1'	1578	1479	0.937	32	382
		3	A1'	1252	1188	0.949	32	383
		4	A1"	1189	1126	0.947	32	384
		5	A2'	1122	1070	0.954	32	385
		6	A2"	3263	3103	0.951	32	386
		7	A2"	879	854	0.971	32	387
		8	E'	3168	3025	0.955	32	388
		9	E'	1521	1438	0.946	32	389
		10	E'	1112	1029	0.926	32	390
		11	E'	922	866	0.939	32	391
		12	E"	3245	3082	0.950	32	392
		13	E"	1248	1188	0.952	32	393
		14	E"	766	739	0.964	32	394
C2H4O	Ethylene oxide	1	A1	3142	3006	0.957	33	395
		2	A1	1591	1498	0.941	33	396
		3	A1	1328	1271	0.957	33	397
		4	A1	1191	1120	0.941	33	398
		5	A1	920	877	0.953	33	399
		6	A2	3215	3063	0.953	33	400
		7	A2	1206	1300	1.078	33	401
		8	A2	1063	860	0.809	33	402
		9	B1	3229	3065	0.949	33	403
		10	B1	1186	1142	0.963	33	404
		11	B1	836	822	0.983	33	405
		12	B2	3133	3006	0.960	33	406
		13	B2	1548	1472	0.951	33	407
		14	B2	1169	1151	0.984	33	408
		15	B2	877	892	1.017	33	409
CH3CHClCH3	Propane, 2-chloro-	1	A'	3169	3005	0.948	34	410
		2	A'	3150	2955	0.938	34	411
		3	A'	3122	2927	0.938	34	412
		4	A'	3073	2878	0.937	34	413
		5	A'	1555	1472	0.947	34	414
		6	A'	1542	1454	0.943	34	415
		7	A'	1474	1390	0.943	34	416
		8	A'	1351	1270	0.940	34	417
		9	A'	1229	1163	0.947	34	418
		10	A'	1122	1065	0.949	34	419
		11	A'	931	888	0.954	34	420
		12	A'	659	633	0.960	34	421
		13	A'	435	418	0.961	34	422
		14	A'	349	336	0.963	34	423
		15	A'	283	253	0.895	34	424
		16	A"	3165	2997	0.947	34	425
		17	A"	3144	2985	0.949	34	426
		18	A"	3068	2947	0.960	34	427
		19	A"	1536	1472	0.959	34	428
		20	A"	1531	1454	0.950	34	429
		21	A"	1462	1377	0.942	34	430
		22	A"	1403	1334	0.951	34	431
		23	A"	1188	1123	0.946	34	432
		24	A"	986	972	0.986	34	433
		25	A"	967	936	0.968	34	434
		26	A"	333	317	0.953	34	435
		27	A"	254	276	1.085	34	436
CH2CCl2	Ethene, 1,1-dichloro-	1	A1	3212	3035	0.945	35	437
		2	A1	1704	1627	0.955	35	438
		3	A1	1445	1400	0.969	35	439
		4	A1	620	603	0.972	35	440
		5	A1	309	299	0.968	35	441
		6	A2	705	686	0.972	35	442
		7	B1	901	875	0.971	35	443
		8	B1	470	460	0.978	35	444
		9	B2	3307	3130	0.946	35	445
		10	B2	1144	1095	0.957	35	446
		11	B2	830	800	0.964	35	447
		12	B2	384	372	0.969	35	448
CH3COCl	Acetyl Chloride	1	A'	3199	3027	0.946	36	449
		2	A'	3092	2948	0.953	36	450
		3	A'	1890	1818	0.962	36	451
		4	A'	1517	1415	0.933	36	452
		5	A'	1447	1368	0.945	36	453
		6	A'	1163	1108	0.953	36	454
		7	A'	1000	956	0.956	36	455
		8	A'	634	604	0.953	36	456
		9	A'	462	445	0.963	36	457
		10	A'	352	348	0.988	36	458
		11	A"	3173	2990	0.942	36	459
		12	A"	1517	1431	0.944	36	460
		13	A"	1082	1032	0.954	36	461
		14	A"	525	518	0.986	36	462
		15	A"	141	166	1.176	36	463
CH2CF2	Ethene, 1,1-difluoro-	1	A1	3239	3070	0.948	37	464
		2	A1	1829	1728	0.945	37	465
		3	A1	1441	1360	0.944	37	466
		4	A1	947	926	0.978	37	467
		5	A1	540	550	1.018	37	468
		6	A2	736	714	0.971	37	469
		7	B1	812	803	0.989	37	470
		8	B1	606	611	1.008	37	471
		9	B2	3340	3154	0.944	37	472
		10	B2	1380	1302	0.943	37	473
		11	B2	987	955	0.968	37	474
		12	B2	436	438	1.004	37	475
CCl2O	Phosgene	1	A1	1885	1827	0.969	38	476
		2	A1	591	567	0.960	38	477
		3	A1	315	285	0.906	38	478
		4	B1	594	580	0.976	38	479
		5	B2	907	849	0.936	38	480
		6	B2	457	440	0.963	38	481
CHF3	Methane, trifluoro-	1	A1	3197	3036	0.950	39	482
		2	A1	1172	1117	0.953	39	483
		3	A1	704	700	0.994	39	484
		4	E	1462	1372	0.939	39	485
		5	E	1227	1152	0.939	39	486
		6	E	505	507	1.003	39	487
N(CH3)3	Trimethylamine	1	A1	3104	2953	0.951	40	488
		2	A1	2978	2775	0.932	40	489
		3	A1	1553	1459	0.939	40	490
		4	A1	1528	1444	0.945	40	491
		5	A1	1246	1186	0.952	40	492
		6	A1	861	828	0.961	40	493
		7	A1	382	367	0.960	40	494
		8	A2	3143	2977	0.947	40	495
		9	A2	1540	1453	0.943	40	496
		10	A2	1088	1046	0.961	40	497
		11	A2	255	255	0.998	40	498
		12	E	3148	2981	0.947	40	499
		13	E	3099	2953	0.953	40	500
		14	E	2966	2776	0.936	40	501
		15	E	1559	1471	0.943	40	502
		16	E	1532	1444	0.942	40	503
		17	E	1486	1409	0.948	40	504
		18	E	1346	1275	0.947	40	505
		19	E	1147	1103	0.962	40	506
		20	E	1089	1043	0.958	40	507
		21	E	436	424	0.970	40	508
		22	E	285	281	0.987	40	509
C2F6	hexafluoroethane	1	A1g	1507	1420	0.942	41	510
		2	A1g	817	809	0.990	41	511
		3	A1g	355	349	0.983	41	512
		4	A1u	66	68	1.033	41	513
		5	A2u	1156	1117	0.966	41	514
		6	A2u	709	714	1.007	41	515
		7	Eg	1315	1237	0.941	41	516
		8	Eg	624	620	0.994	41	517
		9	Eg	380	380	0.999	41	518
		10	Eu	1323	1251	0.945	41	519
		11	Eu	518	523	1.008	41	520
		12	Eu	215	216	1.006	41	521
C5H8	1,3-Butadiene, 2-methyl-	1	A'	3265	3095	0.948	42	522
		2	A'	3253	3095	0.951	42	523
		3	A'	3188	3000	0.941	42	524
		4	A'	3174	3000	0.945	42	525
		5	A'	3166	3000	0.947	42	526
		6	A'	3153	2984	0.946	42	527
		7	A'	3062	2904	0.948	42	528
		8	A'	1752	1638	0.935	42	529
		9	A'	1695	1607	0.948	42	530
		10	A'	1552	1464	0.943	42	531
		11	A'	1502	1420	0.946	42	532
		12	A'	1474	1389	0.942	42	533
		13	A'	1454	1363	0.937	42	534
		14	A'	1368	1313	0.960	42	535
		15	A'	1353	1303	0.963	42	536
		16	A'	1113	1072	0.963	42	537
		17	A'	1033	1012	0.980	42	538
		18	A'	987	953	0.965	42	539
		19	A'	806	770	0.956	42	540
		20	A'	538	530	0.985	42	541
		21	A'	429	396	0.924	42	542
		22	A'	286	196	0.686	42	543
		23	A"	3125	2949	0.944	42	544
		24	A"	1531	1451	0.948	42	545
		25	A"	1094	1034	0.945	42	546
		26	A"	1017	991	0.974	42	547
		27	A"	922	907	0.984	42	548
		28	A"	909	907	0.998	42	549
		29	A"	779	757	0.972	42	550
		30	A"	643	615	0.956	42	551
		31	A"	394	290	0.735	42	552
		32	A"	210	153	0.727	42	553
CH3COOCH3	methyl acetate	1	A'	3204	3035	0.947	43	554
		2	A'	3204	3031	0.946	43	555
		3	A'	3095	2966	0.958	43	556
		4	A'	3092	2964	0.959	43	557
		5	A'	1856	1771	0.954	43	558
		6	A'	1546	1460	0.944	43	559
		7	A'	1526	1440	0.944	43	560
		8	A'	1514	1430	0.945	43	561
		9	A'	1452	1375	0.947	43	562
		10	A'	1331	1248	0.937	43	563
		11	A'	1237	1159	0.937	43	564
		12	A'	1114	1060	0.952	43	565
		13	A'	1017	980	0.963	43	566
		14	A'	879	844	0.960	43	567
		15	A'	655	639	0.975	43	568
		16	A'	430	429	0.998	43	569
		17	A'	293	303	1.034	43	570
		18	A"	3178	3005	0.946	43	571
		19	A"	3165	2994	0.946	43	572
		20	A"	1535	1460	0.951	43	573
		21	A"	1524	1430	0.938	43	574
		22	A"	1201	1187	0.988	43	575
		23	A"	1096	1036	0.946	43	576
		24	A"	609	607	0.996	43	577
		25	A"	182	187	1.029	43	578
		26	A"	154	136	0.884	43	579
		27	A"	77	110	1.433	43	580
CH3CH2CH2CH3	Butane	1	Ag	3135	2965	0.946	44	581
		1	A	3147	2965	0.942	44	582
		2	Ag	3059	2872	0.939	44	583
		2	A	3131	2872	0.917	44	584
		3	Ag	3043	2853	0.938	44	585
		3	A	3083	2853	0.925	44	586
		4	Ag	1555	1460	0.939	44	587
		4	A	3063	1460	0.477	44	588
		5	Ag	1542	1442	0.935	44	589
		5	A	3048	1442	0.473	44	590
		6	Ag	1467	1382	0.942	44	591
		6	A	1562	1382	0.885	44	592
		7	Ag	1448	1361	0.940	44	593
		7	A	1558	1361	0.874	44	594
		8	Ag	1205	1151	0.956	44	595
		8	A	1540	1151	0.747	44	596
		9	Ag	1108	1059	0.956	44	597
		9	A	1467	1059	0.722	44	598
		10	Ag	869	837	0.963	44	599
		10	A	1430	837	0.585	44	600
		11	Ag	436	425	0.975	44	601
		11	A	1348	425	0.315	44	602
		12	Au	3133	2968	0.947	44	603
		12	A	1237	2968	2.399	44	604
		13	Au	3091	2930	0.948	44	605
		13	A	1128	2930	2.597	44	606
		14	Au	1550	1461	0.943	44	607
		14	A	1023	1461	1.428	44	608
		15	Au	1327	1257	0.948	44	609
		15	A	859	1257	1.463	44	610
		16	Au	986	948	0.961	44	611
		16	A	818	948	1.159	44	612
		17	Au	749	731	0.975	44	613
		17	A	329	731	2.222	44	614
		18	Au	233	194	0.834	44	615
		18	A	277	194	0.700	44	616
		19	Au	124	102	0.825	44	617
		19	A	113	102	0.900	44	618
		20	Bg	3129	2965	0.947	44	619
		20	B	3138	2965	0.945	44	620
		21	Bg	3071	2912	0.948	44	621
		21	B	3132	2912	0.930	44	622
		22	Bg	1549	1460	0.942	44	623
		22	B	3088	1460	0.473	44	624
		23	Bg	1364	1300	0.953	44	625
		23	B	3060	1300	0.425	44	626
		24	Bg	1253	1180	0.942	44	627
		24	B	3045	1180	0.387	44	628
		25	Bg	833	803	0.964	44	629
		25	B	1557	803	0.516	44	630
		26	Bg	269	225	0.837	44	631
		26	B	1549	225	0.145	44	632
		27	Bu	3135	2968	0.947	44	633
		27	B	1539	2968	1.929	44	634
		28	Bu	3057	2870	0.939	44	635
		28	B	1470	2870	1.953	44	636
		29	Bu	3049	2853	0.936	44	637
		29	B	1413	2853	2.019	44	638
		30	Bu	1564	1461	0.934	44	639
		30	B	1325	1461	1.102	44	640
		31	Bu	1543	1461	0.947	44	641
		31	B	1190	1461	1.228	44	642
		32	Bu	1467	1379	0.940	44	643
		32	B	1001	1379	1.377	44	644
		33	Bu	1359	1290	0.949	44	645
		33	B	993	1290	1.300	44	646
		34	Bu	1058	1009	0.954	44	647
		34	B	766	1009	1.317	44	648
		35	Bu	1004	964	0.960	44	649
		35	B	447	964	2.159	44	650
		36	Bu	267	271	1.017	44	651
		36	B	222	271	1.222	44	652
CH2CHCHCH2	1,3-Butadiene	1	Ag	3260	3087	0.947	45	653
		2	Ag	3179	3003	0.945	45	654
		3	Ag	3163	2992	0.946	45	655
		4	Ag	1755	1630	0.929	45	656
		5	Ag	1511	1438	0.952	45	657
		6	Ag	1340	1280	0.955	45	658
		7	Ag	1256	1196	0.952	45	659
		8	Ag	914	894	0.978	45	660
		9	Ag	520	512	0.985	45	661
		10	Au	1043	1013	0.972	45	662
		11	Au	922	908	0.985	45	663
		12	Au	531	522	0.984	45	664
		13	Au	155	162	1.044	45	665
		14	Bg	993	976	0.983	45	666
		15	Bg	923	912	0.988	45	667
		16	Bg	767	770	1.004	45	668
		17	Bu	3261	3101	0.951	45	669
		18	Bu	3179	3055	0.961	45	670
		19	Bu	3170	2984	0.941	45	671
		20	Bu	1684	1596	0.948	45	672
		21	Bu	1446	1381	0.955	45	673
		22	Bu	1347	1294	0.960	45	674
		23	Bu	1023	990	0.968	45	675
		24	Bu	299	301	1.007	45	676
CH2ClCH2Cl	Ethane, 1,2-dichloro-	1	Ag	3136	2957	0.943	46	677
		2	Ag	1542	1445	0.937	46	678
		3	Ag	1407	1304	0.927	46	679
		4	Ag	1102	1052	0.955	46	680
		5	Ag	815	754	0.925	46	681
		6	Ag	311	300	0.965	46	682
		7	Au	3212	3005	0.935	46	683
		8	Au	1195	1123	0.940	46	684
		9	Au	798	773	0.968	46	685
		10	Au	126	123	0.977	46	686
		11	Bg	3193	3005	0.941	46	687
		12	Bg	1338	1264	0.945	46	688
		13	Bg	1060	989	0.933	46	689
		14	Bu	3142	2983	0.949	46	690
		15	Bu	1542	1461	0.947	46	691
		16	Bu	1313	1232	0.938	46	692
		17	Bu	767	728	0.949	46	693
		18	Bu	223	222	0.995	46	694
C3H3N	acrylonitrile	1	A'	3287	3125	0.951	47	695
		2	A'	3226	3078	0.954	47	696
		3	A'	3196	3042	0.952	47	697
		4	A'	2336	2239	0.958	47	698
		5	A'	1710	1615	0.944	47	699
		6	A'	1476	1416	0.959	47	700
		7	A'	1346	1282	0.952	47	701
		8	A'	1132	1096	0.968	47	702
		9	A'	889	869	0.978	47	703
		10	A'	570	570	1.000	47	704
		11	A'	233	242	1.038	47	705
		12	A"	1000	972	0.972	47	706
		13	A"	971	954	0.983	47	707
		14	A"	693	683	0.985	47	708
		15	A"	338	362	1.071	47	709
C3H6O	2-Propen-1-ol	1	A	3766	3675	0.976	48	710
		2	A	3257	3102	0.952	48	711
		3	A	3193	3022	0.947	48	712
		4	A	3172	2995	0.944	48	713
		5	A	3049	2934	0.962	48	714
		6	A	3009	2866	0.953	48	715
		7	A	1749	1654	0.946	48	716
		8	A	1571	1453	0.925	48	717
		9	A	1514	1414	0.934	48	718
		10	A	1461	1384	0.947	48	719
		11	A	1337	1320	0.987	48	720
		12	A	1302	1293	0.993	48	721
		13	A	1270	1191	0.938	48	722
		14	A	1189	1132	0.952	48	723
		15	A	1102	1110	1.007	48	724
		16	A	1026	1038	1.011	48	725
		17	A	998	995	0.997	48	726
		18	A	942	919	0.976	48	727
		19	A	940	885	0.942	48	728
		20	A	654	606	0.926	48	729
		21	A	454	554	1.220	48	730
		22	A	337	377	1.121	48	731
		23	A	275	277	1.007	48	732
		24	A	111	188	1.696	48	733
C2H2O2	Ethanedial	1	Ag	3030	2843	0.938	49	734
		2	Ag	1828	1745	0.954	49	735
		3	Ag	1399	1338	0.957	49	736
		4	Ag	1114	1065	0.956	49	737
		5	Ag	569	551	0.968	49	738
		6	Au	820	801	0.977	49	739
		7	Au	146	127	0.873	49	740
		8	Bg	1070	1048	0.980	49	741
		9	Bu	3025	2835	0.937	49	742
		10	Bu	1795	1732	0.965	49	743
		11	Bu	1366	1312	0.961	49	744
		12	Bu	338	339	1.002	49	745
CH3OCHO	methyl formate	1	A'	3211	3045	0.948	50	746
		2	A'	3118	2969	0.952	50	747
		3	A'	3097	2943	0.950	50	748
		4	A'	1839	1754	0.954	50	749
		5	A'	1545	1454	0.941	50	750
		6	A'	1508	1445	0.958	50	751
		7	A'	1433	1371	0.957	50	752
		8	A'	1270	1207	0.950	50	753
		9	A'	1219	1166	0.956	50	754
		10	A'	969	925	0.955	50	755
		11	A'	784	767	0.978	50	756
		12	A'	314	318	1.012	50	757
		13	A"	3182	3012	0.947	50	758
		14	A"	1536	1443	0.939	50	759
		15	A"	1201	1168	0.972	50	760
		16	A"	1051	1032	0.982	50	761
		17	A"	343	332	0.968	50	762
		18	A"	154	130	0.842	50	763
C6H12	Cyclohexane	1	A1g	3091	2930	0.948	51	764
		1	A	3113	2930	0.941	51	765
		2	A1g	3042	2852	0.937	51	766
		2	A	3101	2852	0.920	51	767
		3	A1g	1564	1465	0.937	51	768
		3	A	3085	1465	0.475	51	769
		4	A1g	1222	1157	0.946	51	770
		4	A	3062	1157	0.378	51	771
		5	A1g	832	802	0.964	51	772
		5	A	3057	802	0.262	51	773
		6	A1g	391	383	0.980	51	774
		6	A	3051	383	0.126	51	775
		7	A1u	1423	1383	0.972	51	776
		7	A	1575	1383	0.878	51	777
		8	A1u	1166	1157	0.992	51	778
		8	A	1561	1157	0.741	51	779
		9	A1u	1142	1057	0.925	51	780
		9	A	1541	1057	0.686	51	781
		10	A2g	1381	1437	1.040	51	782
		10	A	1430	1437	1.005	51	783
		11	A2g	1096	1090	0.994	51	784
		11	A	1405	1090	0.776	51	785
		12	A2u	3100	2915	0.940	51	786
		12	A	1371	2915	2.126	51	787
		13	A2u	3044	2860	0.940	51	788
		13	A	1329	2860	2.152	51	789
		14	A2u	1549	1437	0.928	51	790
		14	A	1301	1437	1.104	51	791
		15	A2u	1069	1030	0.963	51	792
		15	A	1288	1030	0.799	51	793
		16	A2u	534	523	0.979	51	794
		16	A	1091	523	0.479	51	795
		17	Eg	3092	2930	0.948	51	796
		17	A	1066	2930	2.748	51	797
		18	Eg	3042	2897	0.952	51	798
		19	A	928	2897	3.123	51	799
		19	Eg	1537	1443	0.939	51	800
		21	A	803	1443	1.798	51	801
		20	Eg	1430	1347	0.942	51	802
		23	A	438	1347	3.077	51	803
		21	Eg	1326	1266	0.955	51	804
		25	A	132	1266	9.612	51	805
		22	Eg	1070	1027	0.960	51	806
		27	B	3098	1027	0.332	51	807
		23	Eg	816	785	0.962	51	808
		29	B	3060	785	0.256	51	809
		24	Eg	436	426	0.977	51	810
		31	B	3046	426	0.140	51	811
		25	Eu	3088	2933	0.950	51	812
		33	B	1550	2933	1.892	51	813
		26	Eu	3039	2863	0.942	51	814
		35	B	1419	2863	2.017	51	815
		27	Eu	1544	1457	0.944	51	816
		37	B	1416	1457	1.029	51	817
		28	Eu	1424	1355	0.951	51	818
		39	B	1211	1355	1.119	51	819
		29	Eu	1319	1261	0.956	51	820
		41	B	1154	1261	1.092	51	821
		30	Eu	942	907	0.963	51	822
		43	B	1047	907	0.866	51	823
		31	Eu	896	863	0.963	51	824
		45	B	896	863	0.964	51	825
		32	Eu	240	248	1.033	51	826
		47	B	559	248	0.444	51	827
CH2CHCH3	Propene	1	A'	3254	3090	0.950	52	828
		2	A'	3176	3013	0.949	52	829
		3	A'	3165	2991	0.945	52	830
		4	A'	3140	2954	0.941	52	831
		5	A'	3056	2871	0.939	52	832
		6	A'	1746	1650	0.945	52	833
		7	A'	1546	1470	0.951	52	834
		8	A'	1494	1420	0.951	52	835
		9	A'	1458	1378	0.945	52	836
		10	A'	1351	1297	0.960	52	837
		11	A'	1221	1171	0.959	52	838
		12	A'	970	963	0.993	52	839
		13	A'	950	920	0.969	52	840
		14	A'	430	428	0.995	52	841
		15	A"	3118	2954	0.947	52	842
		16	A"	1531	1443	0.943	52	843
		17	A"	1098	1045	0.951	52	844
		18	A"	1025	991	0.967	52	845
		19	A"	927	912	0.984	52	846
		20	A"	588	578	0.982	52	847
		21	A"	193	174	0.902	52	848
CH3OCH3	Dimethyl ether	1	A1	3164	2996	0.947	53	849
		2	A1	3021	2817	0.932	53	850
		3	A1	1567	1464	0.934	53	851
		4	A1	1534	1452	0.946	53	852
		5	A1	1297	1244	0.959	53	853
		6	A1	973	928	0.953	53	854
		7	A1	428	418	0.976	53	855
		8	A2	3069	2952	0.962	53	856
		9	A2	1532	1464	0.956	53	857
		10	A2	1185	1150	0.970	53	858
		11	A2	215	203	0.943	53	859
		12	B1	3066	2925	0.954	53	860
		13	B1	1543	1464	0.949	53	861
		14	B1	1223	1179	0.964	53	862
		15	B1	264	242	0.917	53	863
		16	B2	3162	2996	0.948	53	864
		17	B2	3010	2817	0.936	53	865
		18	B2	1550	1464	0.945	53	866
		19	B2	1500	1452	0.968	53	867
		20	B2	1238	1227	0.991	53	868
		21	B2	1148	1102	0.960	53	869
CH2C(CH3)CH3	1-Propene, 2-methyl-	1	A1	3170	2989	0.943	54	870
		2	A1	3149	2941	0.934	54	871
		3	A1	3054	2911	0.953	54	872
		4	A1	1759	1661	0.944	54	873
		5	A1	1552	1470	0.947	54	874
		6	A1	1490	1416	0.950	54	875
		7	A1	1460	1366	0.936	54	876
		8	A1	1110	1064	0.958	54	877
		9	A1	835	801	0.959	54	878
		10	A1	383	383	1.001	54	879
		11	A2	3108	2970	0.956	54	880
		12	A2	1522	1459	0.958	54	881
		13	A2	1046	1076	1.029	54	882
		14	A2	712			54	883
		15	A2	170	193	1.137	54	884
		16	B1	3111	2945	0.947	54	885
		17	B1	1538	1444	0.939	54	886
		18	B1	1137	1079	0.949	54	887
		19	B1	906	890	0.982	54	888
		20	B1	431	429	0.995	54	889
		21	B1	202	196	0.970	54	890
		22	B2	3249	3086	0.950	54	891
		23	B2	3146	2980	0.947	54	892
		24	B2	3049	2893	0.949	54	893
		25	B2	1540	1458	0.947	54	894
		26	B2	1466	1381	0.942	54	895
		27	B2	1339	1282	0.957	54	896
		28	B2	1007	1043	1.036	54	897
		29	B2	993	974	0.981	54	898
		30	B2	440	430	0.977	54	899
CH3CH2CHO	Propanal	1	A'	3158	2981	0.944	55	900
		2	A'	3083	2904	0.942	55	901
		3	A'	3049	2895	0.949	55	902
		4	A'	2958	2809	0.950	55	903
		5	A'	1824	1743	0.956	55	904
		6	A'	1549	1460	0.943	55	905
		7	A'	1518	1416	0.933	55	906
		8	A'	1474	1390	0.943	55	907
		9	A'	1448	1376	0.950	55	908
		10	A'	1416	1335	0.942	55	909
		11	A'	1146	1093	0.954	55	910
		12	A'	1032	993	0.962	55	911
		13	A'	888	848	0.955	55	912
		14	A'	682	668	0.979	55	913
		15	A'	270	271	1.006	55	914
		16	A"	3165	2992	0.945	55	915
		17	A"	3081	2942	0.955	55	916
		18	A"	1545	1451	0.939	55	917
		19	A"	1314	1250	0.951	55	918
		20	A"	1181	1118	0.947	55	919
		21	A"	922	892	0.968	55	920
		22	A"	700	660	0.943	55	921
		23	A"	239	220	0.922	55	922
		24	A"	137	135	0.988	55	923
C4H9N	Pyrrolidine	1	A'	3512	3356	0.956	56	924
		2	A'	3145	2975	0.946	56	925
		3	A'	3113	2927	0.940	56	926
		4	A'	3095	2889	0.933	56	927
		5	A'	2976	2824	0.949	56	928
		6	A'	1583	1484	0.938	56	929
		7	A'	1559	1447	0.928	56	930
		8	A'	1437	1292	0.899	56	931
		9	A'	1361	1273	0.936	56	932
		10	A'	1282	1228	0.958	56	933
		11	A'	1264	1181	0.934	56	934
		12	A'	1105	974	0.881	56	935
		13	A'	1035	920	0.889	56	936
		14	A'	974	901	0.925	56	937
		15	A'	934	871	0.933	56	938
		16	A'	921	832	0.904	56	939
		17	A'	794	789	0.994	56	940
		18	A'	596	579	0.971	56	941
		19	A'	309	299	0.967	56	942
		20	A"	3126	2967	0.949	56	943
		21	A"	3108	2916	0.938	56	944
		22	A"	3085	2879	0.933	56	945
		23	A"	2972	2818	0.948	56	946
		24	A"	1565	1459	0.932	56	947
		25	A"	1538	1412	0.918	56	948
		26	A"	1475	1341	0.909	56	949
		27	A"	1365	1268	0.929	56	950
		28	A"	1339	1211	0.904	56	951
		29	A"	1280	1203	0.940	56	952
		30	A"	1232	1171	0.951	56	953
		31	A"	1165	1099	0.943	56	954
		32	A"	1134	1023	0.902	56	955
		33	A"	963	883	0.917	56	956
		34	A"	894	848	0.948	56	957
		35	A"	642	600	0.935	56	958
		36	A"	68	65	0.955	56	959
CO2	Carbon dioxide	1	Σg	1364	1333	0.977	57	960
		2	Σu	2417	2349	0.972	57	961
		3	Πu	652	667	1.023	57	962
C5H8	Cyclopentene	1	A'	3230	3066	0.949	58	963
		2	A'	3131	2958	0.945	58	964
		3	A'	3099	2916	0.941	58	965
		4	A'	3076	2902	0.943	58	966
		5	A'	3046	2852	0.936	58	967
		6	A'	1713	1616	0.943	58	968
		7	A'	1564	1467	0.938	58	969
		8	A'	1538	1449	0.942	58	970
		9	A'	1377	1302	0.946	58	971
		10	A'	1267	1284	1.013	58	972
		11	A'	1157	1213	1.048	58	973
		12	A'	1102	1048	0.951	58	974
		13	A'	1002	964	0.962	58	975
		14	A'	936	962	1.028	58	976
		15	A'	853	904	1.060	58	977
		16	A'	725	692	0.955	58	978
		17	A'	613	603	0.983	58	979
		18	A'	167	254	1.521	58	980
		19	A"	3205	3039	0.948	58	981
		20	A"	3096	2967	0.958	58	982
		21	A"	3046	2927	0.961	58	983
		22	A"	1546	1467	0.949	58	984
		23	A"	1418	1432	1.010	58	985
		24	A"	1368	1356	0.991	58	986
		25	A"	1342	1302	0.970	58	987
		26	A"	1259	1297	1.031	58	988
		27	A"	1180	1207	1.023	58	989
		28	A"	1074	1113	1.036	58	990
		29	A"	958	1082	1.129	58	991
		30	A"	944	937	0.993	58	992
		31	A"	920	800	0.870	58	993
		32	A"	787	702	0.891	58	994
		33	A"	391	387	0.991	58	995
C2H5N	Aziridine	1	A'	3498	3338	0.954	59	996
		2	A'	3245	3079	0.949	59	997
		3	A'	3158	3015	0.955	59	998
		4	A'	1579	1482	0.939	59	999
		5	A'	1337	1237	0.925	59	1000
		6	A'	1281	1211	0.945	59	1001
		7	A'	1157	1090	0.942	59	1002
		8	A'	1038	998	0.961	59	1003
		9	A'	909	856	0.942	59	1004
		10	A'	800	773	0.966	59	1005
		11	A"	3233	3079	0.953	59	1006
		12	A"	3150	3015	0.957	59	1007
		13	A"	1542	1463	0.949	59	1008
		14	A"	1312	1268	0.967	59	1009
		15	A"	1186	1131	0.954	59	1010
		16	A"	1141	1095	0.960	59	1011
		17	A"	940	904	0.962	59	1012
		18	A"	899	817	0.909	59	1013
CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	1	A1	3269	3077	0.941	60	1014
		2	A1	1699	1587	0.934	60	1015
		3	A1	1260	1179	0.936	60	1016
		4	A1	739	711	0.962	60	1017
		5	A1	172	173	1.006	60	1018
		6	A2	913	876	0.960	60	1019
		7	A2	418	406	0.970	60	1020
		8	B1	733	697	0.951	60	1021
		9	B2	3248	3072	0.946	60	1022
		10	B2	1371	1303	0.950	60	1023
		11	B2	896	857	0.957	60	1024
		12	B2	585	571	0.976	60	1025
CHClCHCl	Ethene, 1,2-dichloro-, (E)-	1	Ag	3268	3073	0.940	61	1026
		2	Ag	1694	1578	0.931	61	1027
		3	Ag	1342	1274	0.950	61	1028
		4	Ag	889	846	0.952	61	1029
		5	Ag	358	350	0.977	61	1030
		6	Au	948	900	0.949	61	1031
		7	Au	217	227	1.044	61	1032
		8	Bg	786	763	0.971	61	1033
		9	Bu	3263	3090	0.947	61	1034
		10	Bu	1275	1200	0.941	61	1035
		11	Bu	859	828	0.964	61	1036
		12	Bu	245	250	1.022	61	1037
C8H8	cubane	1	A1g	3166	2995	0.946	62	1038
		2	A1g	1042	1002	0.962	62	1039
		3	A2u	3133	2978	0.951	62	1040
		4	A2u	1036	839	0.810	62	1041
		5	Eg	1154	1083	0.938	62	1042
		6	Eg	939	912	0.971	62	1043
		7	Eu	1139	1151	1.011	62	1044
		8	Eu	613	617	1.007	62	1045
		9	T1g	1167	1130	0.968	62	1046
		10	T1u	3149	2978	0.946	62	1047
		11	T1u	1302	1230	0.945	62	1048
		12	T1u	882	853	0.967	62	1049
		13	T2g	3142	2970	0.945	62	1050
		14	T2g	1245	1182	0.950	62	1051
		15	T2g	857	821	0.958	62	1052
		16	T2g	672	665	0.990	62	1053
		17	T2u	1105	1036	0.937	62	1054
		18	T2u	862	829	0.962	62	1055
C3H4N2	1H-Pyrazole	1	A'	3695	3523	0.953	63	1056
		2	A'	3305	3155	0.955	63	1057
		3	A'	3286	3137	0.955	63	1058
		4	A'	3274	3126	0.955	63	1059
		5	A'	1615	1531	0.948	63	1060
		6	A'	1531	1447	0.945	63	1061
		7	A'	1469	1395	0.950	63	1062
		8	A'	1424	1358	0.954	63	1063
		9	A'	1314	1254	0.954	63	1064
		10	A'	1206	1159	0.961	63	1065
		11	A'	1171	1121	0.957	63	1066
		12	A'	1084	1054	0.972	63	1067
		13	A'	1073	1009	0.940	63	1068
		14	A'	949	924	0.974	63	1069
		15	A'	930	908	0.976	63	1070
		16	A"	868	879	1.012	63	1071
		17	A"	817	833	1.019	63	1072
		18	A"	755	745	0.987	63	1073
		19	A"	692	674	0.973	63	1074
		20	A"	627	623	0.994	63	1075
		21	A"	485	516	1.064	63	1076
C3H4N2	1H-Imidazole	1	A'	3684	3517	0.955	64	1077
		2	A'	3310	3143	0.949	64	1078
		3	A'	3284	3123	0.951	64	1079
		4	A'	3281	3110	0.948	64	1080
		5	A'	1608	1448	0.901	64	1081
		6	A'	1555	1404	0.903	64	1082
		7	A'	1489	1328	0.892	64	1083
		8	A'	1407	1265	0.899	64	1084
		9	A'	1311	1188	0.906	64	1085
		10	A'	1182	1098	0.929	64	1086
		11	A'	1175	1062	0.904	64	1087
		12	A'	1128	1013	0.898	64	1088
		13	A'	1101	988	0.898	64	1089
		14	A'	951	923	0.970	64	1090
		15	A'	914	898	0.982	64	1091
		16	A"	839	831	0.991	64	1092
		17	A"	819	758	0.925	64	1093
		18	A"	716	674	0.941	64	1094
		19	A"	680	663	0.975	64	1095
		20	A"	636	621	0.976	64	1096
		21	A"	476	539	1.132	64	1097
CH2N4	1H-Tetrazole	1	A'	3685	3447	0.935	65	1098
		2	A'	3328	3102	0.932	65	1099
		3	A'	1550	1441	0.930	65	1100
		4	A'	1503	1384	0.921	65	1101
		5	A'	1344	1259	0.937	65	1102
		6	A'	1299	1159	0.892	65	1103
		7	A'	1174	1084	0.923	65	1104
		8	A'	1088	1015	0.933	65	1105
		9	A'	1073	1002	0.934	65	1106
		10	A'	1021	969	0.949	65	1107
		11	A'	980	925	0.944	65	1108
		12	A"	866	906	1.047	65	1109
		13	A"	738	663	0.899	65	1110
		14	A"	691	658	0.952	65	1111
		15	A"	554	578	1.043	65	1112
C4H4N2	Pyrazine	1	Ag	3222	3055	0.948	66	1113
		2	Ag	1674	1580	0.944	66	1114
		3	Ag	1282	1233	0.962	66	1115
		4	Ag	1055	1016	0.963	66	1116
		5	Ag	612	602	0.983	66	1117
		6	Au	977	960	0.982	66	1118
		7	Au	353	350	0.991	66	1119
		8	B1g	948	927	0.978	66	1120
		9	B1u	3202	3012	0.941	66	1121
		10	B1u	1549	1483	0.958	66	1122
		11	B1u	1182	1130	0.956	66	1123
		12	B1u	1047	1018	0.973	66	1124
		13	B2g	959	983	1.025	66	1125
		14	B2g	754	756	1.003	66	1126
		15	B2u	3217	3069	0.954	66	1127
		16	B2u	1472	1411	0.959	66	1128
		17	B2u	1151	1149	0.998	66	1129
		18	B2u	1117	1063	0.952	66	1130
		19	B3g	3201	3040	0.950	66	1131
		20	B3g	1619	1525	0.942	66	1132
		21	B3g	1398	1346	0.963	66	1133
		22	B3g	722	704	0.974	66	1134
		23	B3u	807	785	0.972	66	1135
		24	B3u	429	418	0.973	66	1136
N2H4	Hydrazine	1	A	3562	3398	0.954	67	1137
		2	A	3453	3329	0.964	67	1138
		3	A	1748	1642	0.940	67	1139
		4	A	1382	1275	0.923	67	1140
		5	A	1160	1076	0.928	67	1141
		6	A	902	780	0.864	67	1142
		7	A	413	377	0.913	67	1143
		8	B	3567	3350	0.939	67	1144
		9	B	3440	3314	0.963	67	1145
		10	B	1734	1628	0.939	67	1146
		11	B	1345	1275	0.948	67	1147
		12	B	1091	966	0.885	67	1148
CF2O	Carbonic difluoride	1	A1	2015	1928	0.957	68	1149
		2	A1	985	965	0.980	68	1150
		3	A1	575	584	1.015	68	1151
		4	B1	771	774	1.005	68	1152
		5	B2	1321	1249	0.945	68	1153
		6	B2	619	626	1.012	68	1154
C2N2	Cyanogen	1	Σg	2446	2330	0.953	69	1155
		2	Σg	868	846	0.975	69	1156
		3	Σu	2240	2158	0.963	69	1157
		4	Πg	516	503	0.974	69	1158
		5	Πu	237	234	0.986	69	1159
CH2CCH2	allene	1	A1	3174	3015	0.950	70	1160
		2	A1	1525	1443	0.946	70	1161
		3	A1	1111	1073	0.966	70	1162
		4	B1	885	865	0.977	70	1163
		5	B2	3173	3007	0.948	70	1164
		6	B2	2067	1957	0.947	70	1165
		7	B2	1473	1398	0.949	70	1166
		8	E	3251	3086	0.949	70	1167
		9	E	1051	999	0.950	70	1168
		10	E	879	841	0.957	70	1169
		11	E	360	355	0.985	70	1170
CH2CO	Ketene	1	A1	3236	3070	0.949	71	1171
		2	A1	2222	2152	0.968	71	1172
		3	A1	1457	1388	0.952	71	1173
		4	A1	1178	1118	0.949	71	1174
		5	B1	616	588	0.955	71	1175
		6	B1	522	528	1.012	71	1176
		7	B2	3334	3166	0.950	71	1177
		8	B2	1026	977	0.952	71	1178
		9	B2	441	433	0.982	71	1179
OCS	Carbonyl sulfide	1	Σ	2111	2062	0.977	72	1180
		2	Σ	873	859	0.984	72	1181
		3	Π	501	520	1.038	72	1182
CH3CCCH3	2-Butyne	1	A1'	3066	2916	0.951	73	1183
		2	A1'	2378	2240	0.942	73	1184
		3	A1'	1468	1380	0.940	73	1185
		4	A1'	732	725	0.991	73	1186
		6	A2"	3066	2938	0.958	73	1187
		7	A2"	1463	1382	0.945	73	1188
		8	A2"	1191	1152	0.967	73	1189
		9	E'	3139	2973	0.947	73	1190
		10	E'	1534	1456	0.949	73	1191
		11	E'	1088	1054	0.968	73	1192
		12	E'	197	213	1.081	73	1193
		13	E"	3139	2966	0.945	73	1194
		14	E"	1534	1448	0.944	73	1195
		15	E"	1052	1029	0.978	73	1196
		16	E"	237	371	1.566	73	1197
ClCN	chlorocyanogen	1	Σ	2310	2216	0.959	74	1198
		2	Σ	747	744	0.996	74	1199
		3	Π	360	378	1.051	74	1200
C5H6	1,3-Cyclopentadiene	1	A1	3256	3091	0.949	75	1201
		2	A1	3231	3075	0.952	75	1202
		3	A1	3057	2886	0.944	75	1203
		4	A1	1615	1500	0.929	75	1204
		5	A1	1489	1378	0.926	75	1205
		6	A1	1439	1365	0.949	75	1206
		7	A1	1158	1106	0.955	75	1207
		8	A1	1033	994	0.963	75	1208
		9	A1	951	915	0.962	75	1209
		10	A1	818	802	0.980	75	1210
		11	A2	1161	1100	0.948	75	1211
		12	A2	906	941	1.039	75	1212
		13	A2	718	700	0.975	75	1213
		14	A2	507	516	1.018	75	1214
		15	B1	3091	2900	0.938	75	1215
		16	B1	963	925	0.961	75	1216
		17	B1	930	891	0.958	75	1217
		18	B1	684	664	0.970	75	1218
		19	B1	347	350	1.009	75	1219
		20	B2	3248	3105	0.956	75	1220
		21	B2	3222	3043	0.944	75	1221
		22	B2	1682	1580	0.940	75	1222
		23	B2	1355	1292	0.954	75	1223
		24	B2	1317	1239	0.941	75	1224
		25	B2	1143	1090	0.954	75	1225
		26	B2	1000	959	0.959	75	1226
		27	B2	821	805	0.980	75	1227
CH3COF	Acetyl fluoride	1	A'	3211	3043	0.948	76	1228
		2	A'	3096	2955	0.955	76	1229
		3	A'	1945	1870	0.961	76	1230
		4	A'	1523	1440	0.946	76	1231
		5	A'	1459	1378	0.945	76	1232
		6	A'	1271	1188	0.935	76	1233
		7	A'	1047	1000	0.956	76	1234
		8	A'	868	826	0.951	76	1235
		9	A'	603	598	0.992	76	1236
		10	A'	415	420	1.013	76	1237
		11	A"	3170	3004	0.948	76	1238
		12	A"	1523	1437	0.943	76	1239
		13	A"	1102	1054	0.956	76	1240
		14	A"	572	567	0.991	76	1241
		15	A"	142	123	0.869	76	1242
CH3CHCHCH3	2-Butene, (Z)-	1	A1	3180	3033	0.954	77	1243
		2	A1	3166	2965	0.937	77	1244
		3	A1	3062	2878	0.940	77	1245
		4	A1	1774	1669	0.941	77	1246
		5	A1	1550	1448	0.934	77	1247
		6	A1	1474	1397	0.948	77	1248
		7	A1	1326	1261	0.951	77	1249
		8	A1	1056	986	0.934	77	1250
		9	A1	890	880	0.988	77	1251
		10	A1	302	290	0.959	77	1252
		11	A2	3114	2988	0.960	77	1253
		12	A2	1533	1464	0.955	77	1254
		13	A2	1086	1037	0.955	77	1255
		14	A2	998	880	0.882	77	1256
		15	A2	385	396	1.028	77	1257
		17	B1	3115	2965	0.952	77	1258
		18	B1	1538	1448	0.941	77	1259
		19	B1	1099	986	0.897	77	1260
		20	B1	708	673	0.951	77	1261
		22	B2	3160	3033	0.960	77	1262
		23	B2	3146	2965	0.943	77	1263
		24	B2	3058	2900	0.948	77	1264
		25	B2	1541	1448	0.940	77	1265
		26	B2	1485	1420	0.956	77	1266
		27	B2	1435	1397	0.973	77	1267
		28	B2	1185	1135	0.958	77	1268
		29	B2	1011	986	0.975	77	1269
		30	B2	573	583	1.017	77	1270
CH2CCHCH3	1,2-Butadiene	1	A'	3171	3061	0.965	78	1271
		2	A'	3167	3010	0.950	78	1272
		3	A'	3154	2965	0.940	78	1273
		4	A'	3062	2905	0.949	78	1274
		5	A'	2079	1970	0.948	78	1275
		6	A'	1551	1453	0.937	78	1276
		7	A'	1519	1437	0.946	78	1277
		8	A'	1463	1389	0.949	78	1278
		9	A'	1405	1330	0.947	78	1279
		10	A'	1175	1132	0.964	78	1280
		11	A'	1124	1074	0.956	78	1281
		12	A'	901	876	0.972	78	1282
		13	A'	882	859	0.974	78	1283
		14	A'	568	555	0.978	78	1284
		15	A'	208	210	1.009	78	1285
		16	A"	3242	3061	0.944	78	1286
		17	A"	3123	2965	0.949	78	1287
		18	A"	1534	1453	0.947	78	1288
		19	A"	1094	1110	1.015	78	1289
		20	A"	1052	1011	0.961	78	1290
		21	A"	903	842	0.932	78	1291
		22	A"	540	523	0.968	78	1292
		23	A"	332	322	0.971	78	1293
C5H8	1,4-Pentadiene	1	A	3253	3080	0.947	79	1294
		2	A	3176	3012	0.948	79	1295
		3	A	3163	3012	0.952	79	1296
		4	A	3045	2900	0.952	79	1297
		5	A	1744	1644	0.942	79	1298
		6	A	1531	1433	0.936	79	1299
		7	A	1486	1413	0.951	79	1300
		8	A	1345	1295	0.963	79	1301
		9	A	1292	1263	0.977	79	1302
		10	A	1111	1120	1.008	79	1303
		11	A	1027	995	0.969	79	1304
		12	A	935	918	0.982	79	1305
		13	A	933	876	0.939	79	1306
		14	A	682	562	0.824	79	1307
		15	A	378	421	1.115	79	1308
		16	A	302	137	0.453	79	1309
		17	A	87	102	1.176	79	1310
		18	B	3253	3080	0.947	79	1311
		19	B	3175	3012	0.949	79	1312
		20	B	3163	3012	0.952	79	1313
		21	B	3087	2982	0.966	79	1314
		22	B	1736	1640	0.945	79	1315
		23	B	1493	1413	0.947	79	1316
		24	B	1359	1314	0.967	79	1317
		25	B	1335	1280	0.959	79	1318
		26	B	1202	1060	0.882	79	1319
		27	B	1028	995	0.968	79	1320
		28	B	994	995	1.001	79	1321
		29	B	933	920	0.986	79	1322
		30	B	918	760	0.828	79	1323
		31	B	612	721	1.178	79	1324
		32	B	458	421	0.920	79	1325
		33	B	96	331	3.460	79	1326
CH3F	Methyl fluoride	1	A1	3072	2930	0.954	80	1327
		2	A1	1541	1464	0.950	80	1328
		3	A1	1101	1049	0.953	80	1329
		4	E	3158	3006	0.952	80	1330
		5	E	1547	1467	0.948	80	1331
		6	E	1215	1182	0.972	80	1332
CH3PH2	Methyl phosphine	1	A'	3172	3000	0.946	81	1333
		2	A'	3080	2938	0.954	81	1334
		3	A'	2415	2297	0.951	81	1335
		4	A'	1526	1450	0.950	81	1336
		5	A'	1403	1238	0.882	81	1337
		6	A'	1130	1086	0.961	81	1338
		7	A'	1035	977	0.944	81	1339
		8	A'	762	740	0.971	81	1340
		9	A'	705	677	0.961	81	1341
		10	A"	3162	2992	0.946	81	1342
		11	A"	2424	2312	0.954	81	1343
		12	A"	1530	1450	0.948	81	1344
		13	A"	1066	1017	0.954	81	1345
		15	A"	237	207	0.872	81	1346
CH3CHCHCH3	2-Butene, (E)-	1	Ag	3154	3011	0.955	82	1347
		2	Ag	3137	2954	0.942	82	1348
		3	Ag	3054	2874	0.941	82	1349
		4	Ag	1783	1680	0.942	82	1350
		5	Ag	1544	1457	0.944	82	1351
		6	Ag	1469	1385	0.943	82	1352
		7	Ag	1361	1309	0.962	82	1353
		8	Ag	1199	1146	0.956	82	1354
		9	Ag	901	866	0.961	82	1355
		10	Ag	507	501	0.987	82	1356
		11	Au	3114	2960	0.951	82	1357
		12	Au	1531	1449	0.947	82	1358
		13	Au	1101	1057	0.960	82	1359
		14	Au	1005	964	0.959	82	1360
		15	Au	247	224	0.908	82	1361
		17	Bg	3114	2954	0.949	82	1362
		18	Bg	1531	1457	0.952	82	1363
		19	Bg	1090	1039	0.953	82	1364
		20	Bg	751	750	0.999	82	1365
		22	Bu	3159	3021	0.956	82	1366
		23	Bu	3135	2960	0.944	82	1367
		24	Bu	3053	2899	0.949	82	1368
		25	Bu	1549	1449	0.935	82	1369
		26	Bu	1468	1393	0.949	82	1370
		27	Bu	1368	1311	0.959	82	1371
		28	Bu	1112	1072	0.964	82	1372
		29	Bu	1015	987	0.972	82	1373
		30	Bu	286	261	0.912	82	1374
CH3SSCH3	Disulfide, dimethyl	1	A	3186	2990	0.939	83	1375
		2	A	3170	2983	0.941	83	1376
		3	A	3083	2913	0.945	83	1377
		4	A	1527	1426	0.934	83	1378
		5	A	1514	1419	0.938	83	1379
		6	A	1426	1311	0.919	83	1380
		7	A	1025	955	0.932	83	1381
		8	A	1019	949	0.931	83	1382
		9	A	738	694	0.941	83	1383
		10	A	519	509	0.980	83	1384
		11	A	240	240	1.001	83	1385
		12	A	156	134	0.857	83	1386
		13	A	98	117	1.193	83	1387
		14	B	3185	2990	0.939	83	1388
		15	B	3170	2983	0.941	83	1389
		16	B	3082	2915	0.946	83	1390
		17	B	1530	1430	0.934	83	1391
		18	B	1507	1415	0.939	83	1392
		19	B	1419	1303	0.918	83	1393
		20	B	1025	955	0.932	83	1394
		21	B	1016	949	0.934	83	1395
		22	B	733	691	0.943	83	1396
		23	B	270	274	1.016	83	1397
		24	B	168	134	0.799	83	1398
CO	Carbon monoxide	1	Σ	2171	2170	1.000	84	1399
		1	Σ	2171	1743	0.803	84	1400
C3H7N	Cyclopropylamine	1	A'	3479	3348	0.962	85	1401
		2	A'	3266	3100	0.949	85	1402
		3	A'	3178	3032	0.954	85	1403
		4	A'	3111	2975	0.956	85	1404
		5	A'	1723	1617	0.939	85	1405
		6	A'	1564	1456	0.931	85	1406
		7	A'	1461	1374	0.940	85	1407
		8	A'	1279	1214	0.949	85	1408
		9	A'	1212	1168	0.964	85	1409
		10	A'	1107	1150	1.039	85	1410
		11	A'	1049	1020	0.972	85	1411
		12	A'	913	989	1.083	85	1412
		13	A'	846	805	0.951	85	1413
		14	A'	797	762	0.956	85	1414
		15	A'	418	408	0.976	85	1415
		16	A"	3565	3412	0.957	85	1416
		17	A"	3255	3100	0.952	85	1417
		18	A"	3170	3023	0.953	85	1418
		19	A"	1502	1424	0.948	85	1419
		20	A"	1314	1104	0.840	85	1420
		21	A"	1233	1045	0.848	85	1421
		22	A"	1171	1026	0.876	85	1422
		23	A"	1111	940	0.846	85	1423
		24	A"	941	884	0.940	85	1424
		25	A"	871	830	0.953	85	1425
		26	A"	408	396	0.970	85	1426
		27	A"	290	254	0.875	85	1427
C4H6	Cyclobutene	1	A1	3240	3060	0.944	86	1428
		2	A1	3080	2935	0.953	86	1429
		3	A1	1662	1570	0.945	86	1430
		4	A1	1548	1450	0.937	86	1431
		5	A1	1265	1276	1.008	86	1432
		6	A1	1163	1186	1.020	86	1433
		7	A1	1030	1113	1.081	86	1434
		8	A1	924	886	0.959	86	1435
		9	A2	3116	2955	0.948	86	1436
		10	A2	1203	1276	1.061	86	1437
		11	A2	1065	1081	1.015	86	1438
		12	A2	906	850	0.938	86	1439
		13	A2	307	325	1.058	86	1440
		14	B1	3130	2955	0.944	86	1441
		15	B1	1127	1074	0.953	86	1442
		16	B1	892	846	0.949	86	1443
		17	B1	659	635	0.963	86	1444
		18	B2	3209	3047	0.949	86	1445
		19	B2	3073	2916	0.949	86	1446
		20	B2	1526	1427	0.935	86	1447
		21	B2	1357	1294	0.953	86	1448
		22	B2	1268	1214	0.957	86	1449
		23	B2	928	888	0.957	86	1450
		24	B2	870	740	0.851	86	1451
H2CS	Thioformaldehyde	1	A1	3128	2971	0.950	87	1452
		2	A1	1554	1456	0.936	87	1453
		3	A1	1086	1059	0.976	87	1454
		4	B1	1027	990	0.964	87	1455
		5	B2	3215	3025	0.941	87	1456
		6	B2	1042	991	0.951	87	1457
CH3SiH3	methyl silane	1	A1	3066	2898	0.945	88	1458
		2	A1	2254	2166	0.961	88	1459
		3	A1	1372	1260	0.919	88	1460
		4	A1	956	940	0.984	88	1461
		5	A1	708	700	0.988	88	1462
		6	A2	197	187	0.949	88	1463
		7	E	3149	2982	0.947	88	1464
		8	E	2259	2169	0.960	88	1465
		9	E	1515	1403	0.926	88	1466
		10	E	968	980	1.012	88	1467
		11	E	925	868	0.938	88	1468
		12	E	531	540	1.017	88	1469
BeO	beryllium oxide	1	Σ	1418	1457	1.028	89	1470
MgO	magnesium oxide	1	Σ	710	785	1.105	90	1471
NaOH	sodium hydroxide	1	Σ	3865	3637	0.941	91	1472
		2	Σ	606	540	0.891	91	1473
		3	Π	105	300	2.856	91	1474
H2	Hydrogen diatomic	1	Σg	4367	4401	1.008	92	1475
Si2H6	disilane	1	A1g	2249	2152	0.957	93	1476
		2	A1g	941	909	0.966	93	1477
		3	A1g	455	434	0.955	93	1478
		4	A1u	135	131	0.973	93	1479
		5	A2u	2239	2154	0.962	93	1480
		6	A2u	867	844	0.973	93	1481
		7	Eg	2253	2155	0.956	93	1482
		8	Eg	943	929	0.985	93	1483
		9	Eg	650	625	0.962	93	1484
		10	Eu	2261	2179	0.964	93	1485
		11	Eu	959	940	0.980	93	1486
		12	Eu	381	379	0.994	93	1487
C5H8	1,3-Pentadiene, (E)-	1	A'	3259	3090	0.948	94	1488
		2	A'	3177	3015	0.949	94	1489
		3	A'	3166	3015	0.952	94	1490
		4	A'	3158	3015	0.955	94	1491
		5	A'	3155	3015	0.956	94	1492
		6	A'	3138	2940	0.937	94	1493
		7	A'	3054	2919	0.956	94	1494
		8	A'	1776	1661	0.935	94	1495
		9	A'	1704	1610	0.945	94	1496
		10	A'	1544	1433	0.928	94	1497
		11	A'	1489	1422	0.955	94	1498
		12	A'	1466	1385	0.945	94	1499
		13	A'	1366	1316	0.963	94	1500
		14	A'	1349	1299	0.963	94	1501
		15	A'	1330	1280	0.962	94	1502
		16	A'	1235	1166	0.944	94	1503
		17	A'	1127	1037	0.920	94	1504
		18	A'	1012	985	0.974	94	1505
		19	A'	930	862	0.926	94	1506
		20	A'	487	483	0.992	94	1507
		21	A'	458	418	0.912	94	1508
		22	A'	199	212	1.063	94	1509
		23	A"	3114	2971	0.954	94	1510
		24	A"	1529	1453	0.950	94	1511
		25	A"	1093	1017	0.930	94	1512
		26	A"	1035	1002	0.968	94	1513
		27	A"	984	912	0.927	94	1514
		28	A"	915	899	0.982	94	1515
		29	A"	829	820	0.989	94	1516
		30	A"	639	615	0.963	94	1517
		31	A"	250	361	1.444	94	1518
		32	A"	198	129	0.651	94	1519
CH2NH	Methanimine	1	A'	3422	3263	0.954	95	1520
		2	A'	3190	3024	0.948	95	1521
		3	A'	3085	2914	0.945	95	1522
		4	A'	1724	1638	0.951	95	1523
		5	A'	1519	1452	0.956	95	1524
		6	A'	1413	1344	0.951	95	1525
		7	A'	1095	1058	0.967	95	1526
		8	A"	1177	1127	0.957	95	1527
		9	A"	1090	1061	0.973	95	1528
CN	Cyano radical	1	Σ	2176	2069	0.951	96	1529
CF2	Difluoromethylene	1	A1	1261	1225	0.972	97	1530
		1	A1	1160	1225	1.056	97	1531
		2	A1	659	667	1.011	97	1532
		2	A1	507	667	1.315	97	1533
		3	B2	1172	1114	0.951	97	1534
		3	B2	1357	1114	0.821	97	1535
CF3	Trifluoromethyl radical	1	A1	1120	1089	0.973	98	1536
		2	A1	701	701	1.000	98	1537
		3	E	1326	1260	0.950	98	1538
		4	E	503	509	1.012	98	1539
SF6	Sulfur Hexafluoride	1	A1g	765	774	1.011	99	1540
		2	Eg	680	642	0.943	99	1541
		3	T1u	1015	948	0.933	99	1542
		4	T1u	581	616	1.059	99	1543
		5	T2g	494	525	1.063	99	1544
		6	T2u	332	347	1.047	99	1545
HCO	Formyl radical	1	A'	2710	2434	0.898	100	1546
		2	A'	1890	1868	0.988	100	1547
		3	A'	1160	1081	0.932	100	1548
ClNO	Nitrosyl chloride	1	A'	1823	1800	0.987	101	1549
		2	A'	624	596	0.954	101	1550
		3	A'	345	332	0.963	101	1551
C3H4	cyclopropene	1	A1	3342	3158	0.945	102	1552
		2	A1	3094	2909	0.940	102	1553
		3	A1	1743	1653	0.948	102	1554
		4	A1	1570	1483	0.945	102	1555
		5	A1	1204	1110	0.922	102	1556
		6	A1	954	905	0.949	102	1557
		7	A2	1039	996	0.959	102	1558
		8	A2	822	820	0.998	102	1559
		9	B1	3159	2995	0.948	102	1560
		10	B1	1138	1088	0.956	102	1561
		11	B1	580	569	0.981	102	1562
		12	B2	3297	3124	0.948	102	1563
		13	B2	1110	1043	0.940	102	1564
		14	B2	1071	1011	0.944	102	1565
		15	B2	817	769	0.941	102	1566
C3H3	Propargyl radical	1	A1	3487	3322	0.953	103	1567
		6	B1	643	687	1.068	103	1568
		7	B1	418	490	1.173	103	1569
CS	carbon monosulfide	1	Σ	1278	1285	1.005	104	1570
HO2	Hydroperoxy radical	1	A'	3584	3436	0.959	105	1571
		2	A'	1453	1392	0.958	105	1572
		3	A'	1096	1098	1.001	105	1573
CH	Methylidyne	1	Σ	2816	2861	1.016	106	1574
		1	Σ	3183	2861	0.899	106	1575
		1	Σ	2816	3145	1.117	106	1576
		1	Σ	3183	3145	0.988	106	1577
		1	Σ	2816	2931	1.041	106	1578
		1	Σ	3183	2931	0.921	106	1579
OH	Hydroxyl radical	1	Σ	3649	3738	1.024	107	1580
NF2	Difluoroamino radical	1	A1	1100	1075	0.977	108	1581
		2	A1	565	573	1.015	108	1582
		3	B2	1010	942	0.933	108	1583
CF	Fluoromethylidyne	1	Σ	1300	1308	1.006	109	1584
CCl	carbon monochloride	1	Σ	866	877	1.012	110	1585
SiH2Cl2	dichlorosilane	1	A1	2320	2224	0.958	111	1586
		2	A1	973	954	0.980	111	1587
		3	A1	540	527	0.975	111	1588
		4	A1	191	188	0.985	111	1589
		5	A2	731	710	0.972	111	1590
		6	B1	2338	2237	0.957	111	1591
		7	B1	612	602	0.983	111	1592
		8	B2	906	876	0.966	111	1593
		9	B2	609	590	0.969	111	1594
C4H6	Methylenecyclopropane	1	A1	3168	3010	0.950	112	1595
		2	A1	3153	3002	0.952	112	1596
		3	A1	1874	1743	0.930	112	1597
		4	A1	1534	1437	0.937	112	1598
		5	A1	1484	1410	0.950	112	1599
		6	A1	1098	1036	0.944	112	1600
		7	A1	1081	1002	0.927	112	1601
		8	A1	762	723	0.949	112	1602
		9	A2	3224	3051	0.946	112	1603
		10	A2	1202	1144	0.952	112	1604
		11	A2	980	937	0.956	112	1605
		12	A2	632	616	0.975	112	1606
		13	B1	3236	3071	0.949	112	1607
		14	B1	1129	1072	0.950	112	1608
		15	B1	907	889	0.980	112	1609
		16	B1	781	748	0.958	112	1610
		17	B1	284	360	1.268	112	1611
		18	B2	3249	3086	0.950	112	1612
		19	B2	3150	2999	0.952	112	1613
		20	B2	1499	1353	0.902	112	1614
		21	B2	1179	1174	0.996	112	1615
		22	B2	1112	1125	1.012	112	1616
		23	B2	933	792	0.849	112	1617
		24	B2	359	290	0.807	112	1618
HCP	HCP	1	Σ	3381	3217	0.951	113	1619
		2	Σ	1312	1278	0.974	113	1620
		3	Π	701	674	0.962	113	1621
SO2	Sulfur dioxide	1	A1	1149	1151	1.002	114	1622
		2	A1	510	518	1.014	114	1623
		3	B2	1353	1362	1.006	114	1624
SO3	Sulfur trioxide	1	A1'	1049	1065	1.015	115	1625
		2	A2"	476	498	1.046	115	1626
		3	E'	1381	1391	1.007	115	1627
		4	E'	511	530	1.037	115	1628
AlCl3	Aluminum trichloride	1	A1'	394	375	0.952	116	1629
		2	A2"	208	183	0.881	116	1630
		3	E'	642	595	0.927	116	1631
		4	E'	153	150	0.981	116	1632
LiCl	lithium chloride	1	Σ	636	643	1.011	117	1633
LiH	Lithium Hydride	1	Σ	1333	1405	1.054	118	1634
SiO2	silicon dioxide	2	Σu	1444	1416	0.981	119	1635
		3	Πu	270	273	1.008	119	1636
BF3	Borane, trifluoro-	1	A1'	891	888	0.996	120	1637
		2	A2"	700	691	0.988	120	1638
		3	E'	1504	1449	0.964	120	1639
		4	E'	482	480	0.996	120	1640
NaH	sodium hydride	1	Σ	1113	1172	1.053	121	1641
HCl	Hydrogen chloride	1	Σ	2984	2991	1.002	122	1642
NaCl	Sodium Chloride	1	Σ	369	365	0.987	123	1643
PF5	Phosphorus pentafluoride	1	A1'	809	816	1.009	124	1644
		2	A1'	688	648	0.942	124	1645
		3	A2"	1027	947	0.922	124	1646
		4	A2"	556	575	1.034	124	1647
		5	E'	1052	1024	0.974	124	1648
		6	E'	518	533	1.030	124	1649
		7	E'	182	174	0.957	124	1650
		8	E"	490	520	1.061	124	1651
HF	Hydrogen fluoride	1	Σ	4017	4138	1.030	125	1652
NH3	Ammonia	1	A1	3455	3337	0.966	126	1653
		2	A1	1180	950	0.805	126	1654
		3	E	3593	3444	0.958	126	1655
		4	E	1751	1627	0.929	126	1656
NaF	sodium fluoride	1	Σ	580	536	0.923	127	1657
MgH2	magnesium dihydride	2	Σu	1584	1572	0.992	128	1658
		3	Πu	444	440	0.991	128	1659
HNO3	Nitric acid	1	A'	3680	3550	0.965	129	1660
		2	A'	1798	1708	0.950	129	1661
		3	A'	1400	1331	0.951	129	1662
		4	A'	1372	1325	0.966	129	1663
		5	A'	941	879	0.934	129	1664
		6	A'	671	647	0.964	129	1665
		7	A'	590	579	0.982	129	1666
		8	A"	774	762	0.985	129	1667
		9	A"	497	456	0.918	129	1668
PCl3	Phosphorus trichloride	1	A1	520	504	0.969	130	1669
		2	A1	267	252	0.945	130	1670
		3	E	522	482	0.924	130	1671
		4	E	189	198	1.050	130	1672
H2O2	Hydrogen peroxide	1	A	3725	3599	0.966	131	1673
		2	A	1476	1402	0.950	131	1674
		3	A	930	877	0.943	131	1675
		4	A	349	371	1.062	131	1676
		5	B	3728	3608	0.968	131	1677
		6	B	1336	1266	0.947	131	1678
N2	Nitrogen diatomic	1	Σg	2396	2359	0.985	132	1679
H2O	Water	1	A1	3750	3657	0.975	133	1680
		2	A1	1745	1595	0.914	133	1681
		3	B2	3877	3756	0.969	133	1682
F2	Fluorine diatomic	1	Σg	969	917	0.946	134	1683
Cl2	Chlorine diatomic	1	Σg	524	560	1.068	135	1684
H2S	Hydrogen sulfide	1	A1	2722	2615	0.961	136	1685
		2	A1	1263	1183	0.936	136	1686
		3	B2	2745	2626	0.957	136	1687
F2O	Difluorine monoxide	1	A1	967	928	0.960	137	1688
		2	A1	462	461	0.997	137	1689
		3	B2	917	831	0.906	137	1690
NF3	Nitrogen trifluoride	1	A1	1066	1032	0.968	138	1691
		2	A1	653	647	0.991	138	1692
		3	E	992	907	0.914	138	1693
		4	E	493	492	0.999	138	1694
PF3	Phosphorus trifluoride	1	A1	914	892	0.975	139	1695
		2	A1	470	487	1.035	139	1696
		3	E	902	860	0.954	139	1697
		4	E	329	344	1.047	139	1698
SiF4	Silicon tetrafluoride	1	A1	802	800	0.997	140	1699
		2	E	261	268	1.026	140	1700
		3	T2	1060	1032	0.974	140	1701
		4	T2	386	389	1.007	140	1702
AlF3	Aluminum trifluoride	1	A1'	713	690	0.968	141	1703
		2	A2"	303	297	0.979	141	1704
		3	E'	997	935	0.938	141	1705
		4	E'	262	263	1.005	141	1706
AlH3	aluminum trihydride	1	A1'	1925	1900	0.987	142	1707
		2	A2"	703	698	0.993	142	1708
		3	E'	1942	1883	0.970	142	1709
		4	E'	787	783	0.995	142	1710
BeH2	beryllium dihydride	2	Σu	2266	2159	0.953	143	1711
		3	Πu	717	698	0.974	143	1712
LiF	lithium fluoride	1	Σ	1000	911	0.910	144	1713
FNO	Nitrosyl fluoride	1	A'	1855	1844	0.994	145	1714
		2	A'	848	766	0.903	145	1715
		3	A'	583	520	0.893	145	1716
ClF	Chlorine monofluoride	1	Σ	786	783	0.996	146	1717
ClF3	Chlorine trifluoride	1	A1	782	752	0.961	147	1718
		2	A1	574	529	0.922	147	1719
		3	A1	338	328	0.971	147	1720
		4	B1	323	328	1.016	147	1721
		5	B2	782	702	0.898	147	1722
		6	B2	434	442	1.017	147	1723
HOCl	hypochlorous acid	1	A'	3715	3609	0.972	148	1724
		2	A'	1326	1239	0.934	148	1725
		3	A'	733	724	0.988	148	1726
Cl2O	Dichlorine monoxide	1	A1	654	639	0.977	149	1727
		2	A1	300	296	0.988	149	1728
		3	B2	718	686	0.955	149	1729
SO2Cl2	Sulfuryl chloride	1	A1	1172	1205	1.028	150	1730
		2	A1	562	577	1.027	150	1731
		3	A1	401	408	1.019	150	1732
		4	A1	208	218	1.046	150	1733
		5	A2	270	282	1.044	150	1734
		6	B1	605	586	0.968	150	1735
		7	B1	379	388	1.023	150	1736
		8	B2	1420	1434	1.010	150	1737
		9	B2	358	362	1.010	150	1738
PH3	Phosphine	1	A1	2427	2323	0.957	151	1739
		2	A1	1058	992	0.938	151	1740
		3	E	2440	2328	0.954	151	1741
		4	E	1147	1118	0.974	151	1742
SiH4	Silane	1	A1	2265	2187	0.966	152	1743
		2	E	975	975	1.000	152	1744
		3	T2	2279	2191	0.961	152	1745
		4	T2	927	914	0.986	152	1746
N2O	Nitrous oxide	1	Σ	2341	2224	0.950	153	1747
		2	Σ	1291	1285	0.995	153	1748
		3	Π	590	589	0.998	153	1749
SiHCl3	Trichlorosilane	1	A1	2359	2261	0.959	154	1750
		2	A1	507	499	0.985	154	1751
		3	A1	260	254	0.977	154	1752
		4	E	833	811	0.974	154	1753
		5	E	622	600	0.965	154	1754
		6	E	178	176	0.987	154	1755
SiCl4	Silane, tetrachloro-	1	A1	430	424	0.985	155	1756
		2	E	150	150	0.998	155	1757
		3	T2	643	621	0.966	155	1758
		4	T2	227	221	0.972	155	1759
PCl5	Phosphorus pentachloride	1	A1'	400	395	0.987	156	1760
		2	A1'	293	370	1.264	156	1761
		3	A2"	467	465	0.996	156	1762
		4	A2"	311	299	0.960	156	1763
		5	E'	599	592	0.989	156	1764
		6	E'	278	273	0.982	156	1765
		7	E'	97	100	1.035	156	1766
		8	E"	269	261	0.970	156	1767
OClO	Chlorine dioxide	1	A1	890	946	1.063	157	1768
		2	A1	417	448	1.073	157	1769
		3	B2	1060	1110	1.047	157	1770
SiO	Silicon monoxide	1	Σ	1209	1242	1.027	158	1771
BCl3	Borane, trichloro-	1	A1'	490	471	0.961	159	1772
		2	A2"	474	460	0.970	159	1773
		3	E'	1001	956	0.955	159	1774
		4	E'	269	243	0.902	159	1775
BHCl2	Borane, dichloro-	1	A1	2752	2617	0.951	160	1776
		2	A1	763	740	0.970	160	1777
		4	B1	811	784	0.967	160	1778
		5	B2	1153	1089	0.945	160	1779
		6	B2	942	892	0.947	160	1780
SiF	silicon monofluoride	1	Σ	877	857	0.977	161	1781
MgS	magnesium sulfide	1	Σ	512	529	1.032	162	1782
SiN	Silicon nitride	1	Σ	1163	1151	0.990	163	1783
C2	Carbon diatomic	1	Σg	1877	1855	0.989	164	1784
		1	Σg	1675	1855	1.108	164	1785
LiO	lithium oxide	1	Σ	844	815	0.965	165	1786
P2	Phosphorus diatomic	1	Σg	788	781	0.990	166	1787
P4	Phosphorus tetramer	1	A1	635	601	0.946	167	1788
		2	E	375	361	0.962	167	1789
		3	T2	481	467	0.971	167	1790
BS	boron sulfide	1	Σ	1195	1180	0.987	168	1791
AlS	Aluminum sulfide	1	Σ	603	617	1.024	169	1792
CP	Carbon monophosphide	1	Σ	1267	1240	0.979	170	1793
NaO	sodium monoxide	1	Σ	491	492	1.002	171	1794
SiS	silicon monosulfide	1	Σ	745	750	1.006	172	1795
BO	boron monoxide	1	Σ	1883	1885	1.001	173	1796
Si2	Silicon diatomic	1	Σg	515	511	0.992	174	1797
		1	Σg	590	511	0.865	174	1798
BH3	boron trihydride	2	A2"	1165	1148	0.985	175	1799
		3	E'	2736	2602	0.951	175	1800
		4	E'	1228	1197	0.974	175	1801
ClNO2	Nitryl chloride	1	A1	1362	1267	0.930	176	1802
		2	A1	811	793	0.977	176	1803
		3	A1	409	364	0.890	176	1804
		4	B1	674	652	0.967	176	1805
		5	B2	1753	1684	0.960	176	1806
		6	B2	425	408	0.960	176	1807
HCF	Fluoromethylene	1	A'	2780	2643	0.951	177	1808
		1	A'	3181	2643	0.831	177	1809
		2	A'	1455	1403	0.965	177	1810
		2	A'	1288	1403	1.090	177	1811
		3	A'	1220	1189	0.974	177	1812
		3	A'	1144	1189	1.040	177	1813
H2S2	HSSH	1	A	2687	2556	0.951	178	1814
		2	A	936	882	0.942	178	1815
		3	A	522	515	0.986	178	1816
		4	A	440	417	0.948	178	1817
		5	B	2688	2559	0.952	178	1818
		6	B	936	878	0.938	178	1819
SiH3Cl	chlorosilane	1	A1	2290	2201	0.961	179	1820
		2	A1	975	949	0.974	179	1821
		3	A1	563	551	0.978	179	1822
		4	E	2307	2195	0.952	179	1823
		5	E	963	954	0.991	179	1824
		6	E	674	664	0.985	179	1825
AlFCl2	Aluminum dichloride fluoride	1	A1	921	850	0.923	180	1826
		2	A1	449	450	1.003	180	1827
		3	A1	158	150	0.947	180	1828
		4	B1	239	220	0.922	180	1829
		5	B2	652	610	0.936	180	1830
		6	B2	211	200	0.947	180	1831
SiH3F	monofluorosilane	1	A1	2295	2206	0.961	181	1832
		2	A1	1043	990	0.950	181	1833
		3	A1	895	872	0.974	181	1834
		4	E	2304	2196	0.953	181	1835
		5	E	971	956	0.984	181	1836
		6	E	751	728	0.969	181	1837
SiCl2	Dichlorosilylene	1	A1	535	522	0.974	182	1838
		2	A1	207	201	0.970	182	1839
		3	B2	535	509	0.952	182	1840
AlCl	Aluminum monochloride	1	Σ	496	482	0.971	183	1841
AlF	Aluminum monofluoride	1	Σ	837	802	0.959	184	1842
BeF	Beryllium monofluoride	1	Σ	1280	1247	0.975	185	1843
BeH	beryllium monohydride	1	Σ	2060	2061	1.001	186	1844
BeS	beryllium sulfide	1	Σ	1001	998	0.997	187	1845
B2Cl4	Diboron tetrachloride	1	A1	1176	1122	0.954	188	1846
		2	A1	419	401	0.958	188	1847
		3	A1	180	176	0.978	188	1848
		5	B2	761	728	0.956	188	1849
		6	B2	306	289	0.944	188	1850
		7	E	968	917	0.947	188	1851
		8	E	515	512	0.995	188	1852
		9	E	104	104	1.001	188	1853
BHF2	Difluoroborane	1	A1	2769	2621	0.946	189	1854
		2	A1	1178	1164	0.988	189	1855
		3	A1	542	542	1.001	189	1856
		4	B1	956	924	0.966	189	1857
		5	B2	1472	1402	0.952	189	1858
PH2	Phosphino radical	1	A1	2390	2310	0.966	190	1859
		2	A1	1151	1102	0.957	190	1860
SiH3	silyl	1	A1	2236	2136	0.955	191	1861
		2	A1	774	728	0.941	191	1862
		3	E	2274	2185	0.961	191	1863
		4	E	941	922	0.980	191	1864
BH	Boron monohydride	1	Σ	2349	2367	1.008	192	1865
B2O2	Diboron dioxide	1	Σg	2113	2060	0.975	193	1866
		2	Σg	621	585	0.943	193	1867
		3	Σu	1926	1898	0.985	193	1868
		4	Πg	491	410	0.836	193	1869
		5	Πu	214	213	0.996	193	1870
NH2	Amino radical	1	A1	3329	3219	0.967	194	1871
		2	A1	1624	1497	0.922	194	1872
		3	B2	3438	3301	0.960	194	1873
NH	Imidogen	1	Σ	3223	3283	1.019	195	1874
		1	Σ	3289	3283	0.998	195	1875
		1	Σ	3223	3314	1.028	195	1876
		1	Σ	3289	3314	1.008	195	1877
SiH	Silylidyne	1	Σ	2036	2043	1.003	196	1878
N2F2	Dinitrogen difluoride, (E)-	1	Ag	1623	1523	0.938	197	1879
		2	Ag	1079	1018	0.944	197	1880
		3	Ag	617	603	0.977	197	1881
		4	Au	368	364	0.990	197	1882
		5	Bu	1044	991	0.949	197	1883
		6	Bu	427	423	0.990	197	1884
BeCl	beryllium chloride	1	Σ	879	847	0.964	198	1885
AlF2Cl	Aluminum chloride difluoride	1	A1	859	820	0.955	199	1886
		2	A1	522	500	0.958	199	1887
		3	A1	248	250	1.009	199	1888
		4	B1	271	260	0.959	199	1889
		5	B2	986	900	0.913	199	1890
		6	B2	193	200	1.034	199	1891
HPO	HPO	1	A'	2188	2095	0.958	200	1892
		2	A'	1178	1188	1.009	200	1893
		3	A'	1028	986	0.958	200	1894
SiH2	silicon dihydride	1	A1	2072	1996	0.963	201	1895
		1	A1	2211	1996	0.903	201	1896
		2	A1	1028	999	0.972	201	1897
		2	A1	893	999	1.119	201	1898
		3	B2	2077	1993	0.959	201	1899
		3	B2	2272	1993	0.877	201	1900
SO	Sulfur monoxide	1	Σ	1138	1151	1.011	202	1901
		1	Σ	1083	1151	1.062	202	1902
SH	Mercapto radical	1	Σ	2684	2696	1.005	203	1903
SiCl	Clorosilylidyne	1	Σ	539	536	0.993	204	1904
NF	nitrogen fluoride	1	Σ	1141	1141	1.001	205	1905
		1	Σ	1163	1141	0.981	205	1906
PH	phosphorus monohydride	1	Σ	2351	2364	1.005	206	1907
		1	Σ	2372	2364	0.997	206	1908
		1	Σ	2351	2415	1.027	206	1909
		1	Σ	2372	2415	1.018	206	1910
		1	Σ	2351	2403	1.022	206	1911
		1	Σ	2372	2403	1.013	206	1912
AlH	aluminum monohydride	1	Σ	1677	1682	1.003	207	1913
HOF	Hypofluorous acid	1	A'	3698	3537	0.956	208	1914
		2	A'	1407	1393	0.990	208	1915
		3	A'	951	886	0.932	208	1916
HNO	Nitrosyl hydride	1	A'	2908	2684	0.923	209	1917
		2	A'	1636	1565	0.957	209	1918
		3	A'	1580	1501	0.950	209	1919
MgH	magnesium monohydride	1	Σ	1419	1493	1.052	210	1920
Li2	Lithium diatomic	1	Σg	342	351	1.026	211	1921
BH2	boron dihydride	2	A1	1052	954	0.906	212	1922
AlH2	aluminum dihydride	1	A1	1834	1770	0.965	213	1923
		2	A1	764	760	0.994	213	1924
		3	B2	1876	1807	0.963	213	1925
HBS	hydrogen boron sulfide	1	Σ	2863	2736	0.956	214	1926
		2	Σ	1196	1172	0.980	214	1927
MgF	Magnesium monofluoride	1	Σ	752	712	0.946	215	1928
MgCl	magnesium monochloride	1	Σ	469	462	0.985	216	1929
ClO	Monochlorine monoxide	1	Σ	808	854	1.056	217	1930
SCl	sulfur monochloride	1	Σ	556	575	1.034	218	1931
PF	phosphorus monofluoride	1	Σ	857	847	0.988	219	1932
		1	Σ	863	847	0.981	219	1933
SF	Monosulfur monofluoride	1	Σ	838	838	0.999	220	1934
PCl	phosphorus chloride	1	Σ	543	577	1.063	221	1935
		1	Σ	561	577	1.029	221	1936
PN	Phosphorus mononitride	1	Σ	1350	1337	0.991	222	1937
BCl	boron monochloride	1	Σ	858	840	0.980	223	1938
HBO	Boron hydride oxide	1	Σ	2930	2850	0.973	224	1939
		2	Σ	1845	1826	0.989	224	1940
		3	Π	756	756	1.000	224	1941
BeOH	beryllium hydroxide	2	A'	1273	1246	0.978	225	1942
SSO	Disulfur monoxide	1	A'	1147	1166	1.017	226	1943
		2	A'	688	679	0.986	226	1944
		3	A'	380	380	1.001	226	1945
S2	Sulfur diatomic	1	Σg	725	726	1.001	227	1946
		1	Σg	696	726	1.043	227	1947
Na2	Sodium diatomic	1	Σg	155	159	1.029	228	1948
ClS2	Sulfur chloride	1	A'	622	662	1.064	229	1949
		2	A'	498	450	0.903	229	1950
		3	A'	209	196	0.938	229	1951

How do we calculate the scaling factor?