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	hartrees
Energy at 0K	-492.236465
Energy at 298.15K	-492.240117
HF Energy	-491.624123
Nuclear repulsion energy	93.807606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3454	3454
2	A'	3067	3067
3	A'	2700	2700
4	A'	1595	1595
5	A'	1363	1363
6	A'	1197	1197
7	A'	924	924
8	A'	712	712
9	A'	419	419
10	A"	1040	1040
11	A"	722	722
12	A"	371	371

Atom	x (Å)	y (Å)
N1	1.252	1.041
C2	0.000	0.773
S3	-0.621	-0.878
H4	1.386	2.053
H5	-0.806	1.512
H6	0.600	-1.440

	N1	C2	S3	H4	H5	H6
N1		1.2800	2.6814	1.0216	2.1114	2.5651
C2	1.2800		1.7646	1.8864	1.0936	2.2936
S3	2.6814	1.7646		3.5528	2.3975	1.3445
H4	1.0216	1.8864	3.5528		2.2579	3.5809
H5	2.1114	1.0936	2.3975	2.2579		3.2703
H6	2.5651	2.2936	1.3445	3.5809	3.2703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.661	N1	C2	H5	125.457
C2	N1	H4	109.580	C2	S3	H6	94.100
S3	C2	H5	111.882

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

using model chemistry: MP4/daug-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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