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	hartrees
Energy at 0K	-492.108388
Energy at 298.15K	-492.112034
HF Energy	-491.586671
Nuclear repulsion energy	93.109020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3439	3340
2	A'	3082	2993
3	A'	2687	2610
4	A'	1615	1568
5	A'	1365	1326
6	A'	1206	1171
7	A'	924	898
8	A'	710	689
9	A'	417	405
10	A"	1029	1000
11	A"	717	696
12	A"	358	347

Atom	x (Å)	y (Å)
N1	1.260	1.050
C2	0.000	0.779
S3	-0.625	-0.885
H4	1.389	2.070
H5	-0.814	1.526
H6	0.605	-1.456

	N1	C2	S3	H4	H5	H6
N1		1.2885	2.7011	1.0288	2.1277	2.5902
C2	1.2885		1.7778	1.8967	1.1045	2.3161
S3	2.7011	1.7778		3.5767	2.4183	1.3564
H4	1.0288	1.8967	3.5767		2.2697	3.6129
H5	2.1277	1.1045	2.4183	2.2697		3.3027
H6	2.5902	2.3161	1.3564	3.6129	3.3027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.702	N1	C2	H5	125.353
C2	N1	H4	109.360	C2	S3	H6	94.329
S3	C2	H5	111.945

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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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