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	hartrees
Energy at 0K	-492.213362
Energy at 298.15K	-492.217041
HF Energy	-491.617209
Nuclear repulsion energy	94.037921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3475	3279
2	A'	3068	2895
3	A'	2696	2544
4	A'	1603	1513
5	A'	1370	1293
6	A'	1196	1129
7	A'	931	879
8	A'	722	681
9	A'	421	398
10	A"	1045	986
11	A"	724	683
12	A"	379	358

Atom	x (Å)	y (Å)
N1	1.250	1.037
C2	0.000	0.769
S3	-0.621	-0.874
H4	1.386	2.050
H5	-0.805	1.510
H6	0.595	-1.443

	N1	C2	S3	H4	H5	H6
N1		1.2790	2.6749	1.0214	2.1087	2.5657
C2	1.2790		1.7562	1.8876	1.0943	2.2905
S3	2.6749	1.7562		3.5465	2.3917	1.3423
H4	1.0214	1.8876	3.5465		2.2562	3.5815
H5	2.1087	1.0943	2.3917	2.2562		3.2685
H6	2.5657	2.2905	1.3423	3.5815	3.2685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.828	N1	C2	H5	125.192
C2	N1	H4	109.777	C2	S3	H6	94.385
S3	C2	H5	111.980

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

using model chemistry: MP4/6-311+G(3df,2p)

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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