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	hartrees
Energy at 0K	-492.564650
Energy at 298.15K	-492.568356
HF Energy	-492.421258
Nuclear repulsion energy	93.887591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3472	3292	0.02	196.01	0.32	0.49
2	A'	3114	2953	32.68	104.95	0.42	0.59
3	A'	2737	2596	1.13	104.45	0.35	0.52
4	A'	1670	1584	141.26	12.03	0.24	0.38
5	A'	1416	1343	23.21	7.82	0.17	0.29
6	A'	1227	1164	32.53	16.76	0.68	0.81
7	A'	956	906	52.52	6.35	0.63	0.78
8	A'	723	686	72.54	4.77	0.25	0.40
9	A'	434	412	16.83	3.39	0.46	0.63
10	A"	1071	1016	3.97	0.38	0.75	0.86
11	A"	742	704	76.30	5.16	0.75	0.86
12	A"	392	372	42.63	1.23	0.75	0.86

All results from a given calculation for NHCHSH (Methanimidothioic acid)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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