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	hartrees
Energy at 0K	-492.000326
Energy at 298.15K	-492.004002
HF Energy	-491.542782
Nuclear repulsion energy	93.576200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3419	3290
2	A'	3093	2975
3	A'	2708	2605
4	A'	1656	1593
5	A'	1419	1365
6	A'	1237	1190
7	A'	958	922
8	A'	732	705
9	A'	433	417
10	A"	1063	1022
11	A"	735	707
12	A"	363	349

Atom	x (Å)	y (Å)
N1	1.256	1.038
C2	0.000	0.777
S3	-0.624	-0.879
H4	1.395	2.057
H5	-0.812	1.517
H6	0.602	-1.444

	N1	C2	S3	H4	H5	H6
N1		1.2826	2.6840	1.0286	2.1224	2.5664
C2	1.2826		1.7693	1.8932	1.0985	2.3013
S3	2.6840	1.7693		3.5625	2.4034	1.3494
H4	1.0286	1.8932	3.5625		2.2719	3.5896
H5	2.1224	1.0985	2.4034	2.2719		3.2814
H6	2.5664	2.3013	1.3494	3.5896	3.2814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.351	N1	C2	H5	125.917
C2	N1	H4	109.510	C2	S3	H6	94.140
S3	C2	H5	111.731

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

using model chemistry: CCSD(T)/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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