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	hartrees
Energy at 0K	-491.953844
Energy at 298.15K	-491.957566
HF Energy	-491.543246
Nuclear repulsion energy	93.989839

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'	3483	3285	0.66	169.71	0.32	0.48
2	A'	3141	2962	27.81	96.77	0.39	0.56
3	A'	2784	2625	0.37	98.59	0.35	0.52
4	A'	1656	1562	107.42	7.37	0.25	0.40
5	A'	1423	1341	18.14	8.04	0.17	0.29
6	A'	1235	1165	33.21	16.73	0.68	0.81
7	A'	967	911	51.45	6.06	0.68	0.81
8	A'	749	707	71.22	2.79	0.26	0.41
9	A'	441	416	19.59	2.71	0.46	0.63
10	A"	1078	1017	3.70	0.58	0.75	0.86
11	A"	751	708	81.79	4.81	0.75	0.86
12	A"	384	362	44.87	1.28	0.75	0.86

Atom	x (Å)	y (Å)
N1	1.256	1.028
C2	0.000	0.772
S3	-0.623	-0.871
H4	1.399	2.043
H5	-0.809	1.510
H6	0.594	-1.438

	N1	C2	S3	H4	H5	H6
N1		1.2813	2.6715	1.0251	2.1204	2.5527
C2	1.2813		1.7579	1.8898	1.0953	2.2883
S3	2.6715	1.7579		3.5471	2.3891	1.3423
H4	1.0251	1.8898	3.5471		2.2714	3.5724
H5	2.1204	1.0953	2.3891	2.2714		3.2649
H6	2.5527	2.2883	1.3423	3.5724	3.2649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.272	N1	C2	H5	126.126
C2	N1	H4	109.542	C2	S3	H6	94.182
S3	C2	H5	111.602

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

using model chemistry: MP2/6-31G*

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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