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	hartrees
Energy at 0K	-492.106943
Energy at 298.15K	-492.110612
HF Energy	-491.603303
Nuclear repulsion energy	93.586383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3463	3335
2	A'	3090	2975
3	A'	2725	2624
4	A'	1611	1551
5	A'	1400	1349
6	A'	1217	1172
7	A'	940	905
8	A'	714	688
9	A'	431	415
10	A"	1041	1003
11	A"	725	698
12	A"	359	346

Atom	x (Å)	y (Å)
N1	1.250	1.048
C2	0.000	0.779
S3	-0.620	-0.884
H4	1.370	2.063
H5	-0.811	1.513
H6	0.605	-1.439

	N1	C2	S3	H4	H5	H6
N1		1.2787	2.6885	1.0227	2.1126	2.5688
C2	1.2787		1.7745	1.8780	1.0939	2.2988
S3	2.6885	1.7745		3.5561	2.4050	1.3449
H4	1.0227	1.8780	3.5561		2.2488	3.5847
H5	2.1126	1.0939	2.4050	2.2488		3.2742
H6	2.5688	2.2988	1.3449	3.5847	3.2742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.581	N1	C2	H5	125.673
C2	N1	H4	108.871	C2	S3	H6	93.922
S3	C2	H5	111.746

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

using model chemistry: MP4/TZVP

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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