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	hartrees
Energy at 0K	-492.064601
Energy at 298.15K	-492.068294
HF Energy	-491.585691
Nuclear repulsion energy	93.708852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3457	3328
2	A'	3058	2944
3	A'	2599	2502
4	A'	1639	1578
5	A'	1415	1362
6	A'	1242	1195
7	A'	956	920
8	A'	725	698
9	A'	436	419
10	A"	1057	1017
11	A"	736	708
12	A"	369	355

Atom	x (Å)	y (Å)
N1	1.252	1.036
C2	0.000	0.777
S3	-0.623	-0.878
H4	1.391	2.049
H5	-0.808	1.521
H6	0.610	-1.436

	N1	C2	S3	H4	H5	H6
N1		1.2791	2.6796	1.0226	2.1168	2.5545
C2	1.2791		1.7678	1.8858	1.0990	2.2953
S3	2.6796	1.7678		3.5533	2.4066	1.3533
H4	1.0226	1.8858	3.5533		2.2619	3.5721
H5	2.1168	1.0990	2.4066	2.2619		3.2801
H6	2.5545	2.2953	1.3533	3.5721	3.2801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.338	N1	C2	H5	125.609
C2	N1	H4	109.527	C2	S3	H6	93.739
S3	C2	H5	112.053

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

using model chemistry: CCSD(T)/6-311G*

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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