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	hartrees
Energy at 0K	-491.972687
Energy at 298.15K	-491.976414
HF Energy	-491.543367
Nuclear repulsion energy	94.077142

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'	3485	3283	0.72	169.30	0.32	0.48
2	A'	3142	2960	27.79	96.70	0.39	0.57
3	A'	2783	2623	0.38	98.63	0.35	0.52
4	A'	1659	1563	107.92	7.62	0.25	0.40
5	A'	1422	1340	18.00	7.99	0.17	0.29
6	A'	1234	1163	33.37	16.71	0.68	0.81
7	A'	968	912	51.90	6.02	0.68	0.81
8	A'	750	707	70.94	2.73	0.26	0.41
9	A'	442	417	19.66	2.69	0.46	0.63
10	A"	1080	1018	3.67	0.58	0.75	0.86
11	A"	752	709	82.06	4.78	0.75	0.86
12	A"	386	364	44.67	1.28	0.75	0.86

Atom	x (Å)	y (Å)
N1	1.254	1.027
C2	0.000	0.771
S3	-0.623	-0.870
H4	1.399	2.041
H5	-0.809	1.509
H6	0.594	-1.437

	N1	C2	S3	H4	H5	H6
N1		1.2800	2.6688	1.0249	2.1188	2.5507
C2	1.2800		1.7557	1.8895	1.0950	2.2865
S3	2.6688	1.7557		3.5447	2.3868	1.3422
H4	1.0249	1.8895	3.5447		2.2709	3.5702
H5	2.1188	1.0950	2.3868	2.2709		3.2631
H6	2.5507	2.2865	1.3422	3.5702	3.2631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.301	N1	C2	H5	126.102
C2	N1	H4	109.628	C2	S3	H6	94.189
S3	C2	H5	111.598

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

using model chemistry: MP2=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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