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	hartrees
Energy at 0K	-492.287109
Energy at 298.15K	-492.290816
HF Energy	-491.622194
Nuclear repulsion energy	94.157245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3478	3349
2	A'	3096	2981
3	A'	2711	2610
4	A'	1626	1566
5	A'	1386	1335
6	A'	1208	1163
7	A'	931	897
8	A'	717	691
9	A'	422	406
10	A"	1074	1034
11	A"	741	713
12	A"	391	377

Atom	x (Å)	y (Å)
N1	1.245	1.041
C2	0.000	0.770
S3	-0.618	-0.877
H4	1.373	2.051
H5	-0.805	1.500
H6	0.602	-1.431

	N1	C2	S3	H4	H5	H6
N1		1.2738	2.6733	1.0182	2.1007	2.5541
C2	1.2738		1.7594	1.8774	1.0867	2.2824
S3	2.6733	1.7594		3.5405	2.3844	1.3399
H4	1.0182	1.8774	3.5405		2.2467	3.5664
H5	2.1007	1.0867	2.3844	2.2467		3.2516
H6	2.5541	2.2824	1.3399	3.5664	3.2516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.814	N1	C2	H5	125.557
C2	N1	H4	109.489	C2	S3	H6	93.877
S3	C2	H5	111.629

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

using model chemistry: MP4=FULL/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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