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	hartrees
Energy at 0K	-492.059233
Energy at 298.15K	-492.062908
HF Energy	-491.575778
Nuclear repulsion energy	93.131394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3441	3327
2	A'	3071	2970
3	A'	2731	2640
4	A'	1624	1570
5	A'	1372	1326
6	A'	1204	1164
7	A'	926	896
8	A'	712	688
9	A'	419	405
10	A"	1045	1011
11	A"	723	699
12	A"	382	370

Atom	x (Å)	y (Å)
N1	1.261	1.044
C2	0.000	0.782
S3	-0.625	-0.885
H4	1.376	2.070
H5	-0.823	1.525
H6	0.612	-1.435

	N1	C2	S3	H4	H5	H6
N1		1.2884	2.6974	1.0326	2.1392	2.5624
C2	1.2884		1.7796	1.8850	1.1089	2.2999
S3	2.6974	1.7796		3.5683	2.4179	1.3539
H4	1.0326	1.8850	3.5683		2.2655	3.5873
H5	2.1392	1.1089	2.4179	2.2655		3.2898
H6	2.5624	2.2999	1.3539	3.5873	3.2898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.280	N1	C2	H5	126.175
C2	N1	H4	108.110	C2	S3	H6	93.443
S3	C2	H5	111.546

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

using model chemistry: MP4/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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