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	hartrees
Energy at 0K	-492.040020
Energy at 298.15K	-492.043689
HF Energy	-491.557959
Nuclear repulsion energy	93.739722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3512	3370
2	A'	3132	3005
3	A'	2757	2646
4	A'	1644	1577
5	A'	1411	1354
6	A'	1225	1176
7	A'	963	924
8	A'	736	706
9	A'	432	415
10	A"	1054	1011
11	A"	727	698
12	A"	350	336

Atom	x (Å)	y (Å)
N1	1.256	1.041
C2	0.000	0.772
S3	-0.623	-0.878
H4	1.390	2.054
H5	-0.802	1.514
H6	0.590	-1.442

	N1	C2	S3	H4	H5	H6
N1		1.2845	2.6857	1.0222	2.1122	2.5709
C2	1.2845		1.7640	1.8906	1.0927	2.2919
S3	2.6857	1.7640		3.5566	2.3988	1.3379
H4	1.0222	1.8906	3.5566		2.2576	3.5869
H5	2.1122	1.0927	2.3988	2.2576		3.2679
H6	2.5709	2.2919	1.3379	3.5869	3.2679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.747	N1	C2	H5	125.181
C2	N1	H4	109.570	C2	S3	H6	94.266
S3	C2	H5	112.073

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

using model chemistry: CCSD(T)/6-31+G**

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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