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	hartrees
Energy at 0K	-492.070237
Energy at 298.15K	-492.073916
HF Energy	-491.575960
Nuclear repulsion energy	93.217979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3446	3326
2	A'	3076	2969
3	A'	2740	2644
4	A'	1627	1570
5	A'	1373	1325
6	A'	1205	1163
7	A'	928	896
8	A'	714	689
9	A'	419	405
10	A"	1047	1011
11	A"	725	699
12	A"	384	371

Atom	x (Å)	y (Å)
N1	1.261	1.043
C2	0.000	0.780
S3	-0.624	-0.884
H4	1.376	2.068
H5	-0.822	1.523
H6	0.611	-1.435

	N1	C2	S3	H4	H5	H6
N1		1.2876	2.6952	1.0318	2.1374	2.5612
C2	1.2876		1.7774	1.8844	1.1080	2.2977
S3	2.6952	1.7774		3.5656	2.4150	1.3524
H4	1.0318	1.8844	3.5656		2.2645	3.5853
H5	2.1374	1.1080	2.4150	2.2645		3.2867
H6	2.5612	2.2977	1.3524	3.5853	3.2867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.321	N1	C2	H5	126.145
C2	N1	H4	108.166	C2	S3	H6	93.477
S3	C2	H5	111.534

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

using model chemistry: MP4=FULL/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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