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	hartrees
Energy at 0K	-492.285026
Energy at 298.15K	-492.288732
HF Energy	-491.622519
Nuclear repulsion energy	94.199754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3484	3338
2	A'	3103	2973
3	A'	2701	2587
4	A'	1651	1582
5	A'	1398	1340
6	A'	1215	1164
7	A'	935	896
8	A'	718	688
9	A'	423	405
10	A"	1079	1034
11	A"	741	710
12	A"	386	369

Atom	x (Å)	y (Å)
N1	1.241	1.043
C2	0.000	0.771
S3	-0.616	-0.878
H4	1.370	2.053
H5	-0.805	1.500
H6	0.604	-1.433

	N1	C2	S3	H4	H5	H6
N1		1.2703	2.6719	1.0174	2.0960	2.5573
C2	1.2703		1.7604	1.8757	1.0859	2.2858
S3	2.6719	1.7604		3.5400	2.3856	1.3406
H4	1.0174	1.8757	3.5400		2.2436	3.5690
H5	2.0960	1.0859	2.3856	2.2436		3.2543
H6	2.5573	2.2858	1.3406	3.5690	3.2543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.854	N1	C2	H5	125.459
C2	N1	H4	109.653	C2	S3	H6	93.993
S3	C2	H5	111.687

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

using model chemistry: CCSD(T)=FULL/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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