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	hartrees
Energy at 0K	-489.353459
Energy at 298.15K	-489.357004
HF Energy	-489.049377
Nuclear repulsion energy	90.926555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3272	3202
2	A'	3068	3003
3	A'	2405	2354
4	A'	1583	1549
5	A'	1359	1330
6	A'	1169	1144
7	A'	894	876
8	A'	597	584
9	A'	400	392
10	A"	1069	1046
11	A"	728	712
12	A"	344	337

Atom	x (Å)	y (Å)
N1	1.262	1.076
C2	0.000	0.840
S3	-0.633	-0.921
H4	1.497	2.088
H5	-0.841	1.541
H6	0.637	-1.461

	N1	C2	S3	H4	H5	H6
N1		1.2842	2.7534	1.0384	2.1540	2.6133
C2	1.2842		1.8712	1.9492	1.0949	2.3873
S3	2.7534	1.8712		3.6866	2.4707	1.3798
H4	1.0384	1.9492	3.6866		2.4013	3.6517
H5	2.1540	1.0949	2.4707	2.4013		3.3459
H6	2.6133	2.3873	1.3798	3.6517	3.3459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	120.383	N1	C2	H5	129.573
C2	N1	H4	113.687	C2	S3	H6	93.266
S3	C2	H5	110.044

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

using model chemistry: MP4=FULL/3-21G

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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