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	hartrees
Energy at 0K	-492.029441
Energy at 298.15K	-492.033129
HF Energy	-491.552832
Nuclear repulsion energy	93.725223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3503	3323
2	A'	3134	2973
3	A'	2765	2623
4	A'	1659	1573
5	A'	1420	1346
6	A'	1233	1170
7	A'	966	916
8	A'	733	695
9	A'	435	413
10	A"	1070	1015
11	A"	736	698
12	A"	361	342

Atom	x (Å)	y (Å)
N1	1.255	1.039
C2	0.000	0.777
S3	-0.622	-0.879
H4	1.384	2.054
H5	-0.807	1.513
H6	0.593	-1.437

	N1	C2	S3	H4	H5	H6
N1		1.2820	2.6839	1.0225	2.1157	2.5632
C2	1.2820		1.7688	1.8833	1.0924	2.2917
S3	2.6839	1.7688		3.5534	2.3989	1.3371
H4	1.0225	1.8833	3.5534		2.2574	3.5791
H5	2.1157	1.0924	2.3989	2.2574		3.2651
H6	2.5632	2.2917	1.3371	3.5791	3.2651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.419	N1	C2	H5	125.823
C2	N1	H4	109.104	C2	S3	H6	94.063
S3	C2	H5	111.758

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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