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	hartrees
Energy at 0K	-492.307259
Energy at 298.15K	-492.310955
HF Energy	-491.624937
Nuclear repulsion energy	94.213941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3488	3488
2	A'	3105	3105
3	A'	2698	2698
4	A'	1639	1639
5	A'	1382	1382
6	A'	1206	1206
7	A'	936	936
8	A'	719	719
9	A'	424	424
10	A"	1064	1064
11	A"	737	737
12	A"	378	378

Atom	x (Å)	y (Å)
N1	1.242	1.039
C2	0.000	0.771
S3	-0.618	-0.876
H4	1.383	2.047
H5	-0.799	1.506
H6	0.602	-1.433

	N1	C2	S3	H4	H5	H6
N1		1.2712	2.6704	1.0172	2.0939	2.5536
C2	1.2712		1.7591	1.8817	1.0857	2.2842
S3	2.6704	1.7591		3.5422	2.3893	1.3410
H4	1.0172	1.8817	3.5422		2.2474	3.5660
H5	2.0939	1.0857	2.3893	2.2474		3.2556
H6	2.5536	2.2842	1.3410	3.5660	3.2556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.765	N1	C2	H5	125.158
C2	N1	H4	110.123	C2	S3	H6	93.946
S3	C2	H5	112.077

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

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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