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	hartrees
Energy at 0K	-492.221661
Energy at 298.15K	-492.225343
HF Energy	-491.621577
Nuclear repulsion energy	93.825009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3462	3356
2	A'	3074	2979
3	A'	2706	2622
4	A'	1609	1560
5	A'	1372	1330
6	A'	1203	1166
7	A'	924	896
8	A'	711	689
9	A'	419	406
10	A"	1056	1023
11	A"	728	706
12	A"	382	370

Atom	x (Å)	y (Å)
N1	1.250	1.043
C2	0.000	0.774
S3	-0.620	-0.880
H4	1.373	2.057
H5	-0.809	1.509
H6	0.603	-1.436

	N1	C2	S3	H4	H5	H6
N1		1.2784	2.6820	1.0208	2.1106	2.5626
C2	1.2784		1.7662	1.8785	1.0928	2.2913
S3	2.6820	1.7662		3.5485	2.3963	1.3433
H4	1.0208	1.8785	3.5485		2.2491	3.5768
H5	2.1106	1.0928	2.3963	2.2491		3.2662
H6	2.5626	2.2913	1.3433	3.5768	3.2662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.692	N1	C2	H5	125.592
C2	N1	H4	109.063	C2	S3	H6	93.939
S3	C2	H5	111.717

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

using model chemistry: MP4/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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