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	hartrees
Energy at 0K	-492.211492
Energy at 298.15K	-492.215169
HF Energy	-491.617598
Nuclear repulsion energy	94.092954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3483	3438
2	A'	3075	3035
3	A'	2689	2654
4	A'	1630	1609
5	A'	1382	1364
6	A'	1203	1188
7	A'	935	923
8	A'	722	713
9	A'	423	417
10	A"	1051	1037
11	A"	724	715
12	A"	372	367

Atom	x (Å)	y (Å)
N1	1.246	1.039
C2	0.000	0.769
S3	-0.619	-0.875
H4	1.384	2.051
H5	-0.804	1.510
H6	0.597	-1.445

	N1	C2	S3	H4	H5	H6
N1		1.2752	2.6731	1.0204	2.1036	2.5674
C2	1.2752		1.7573	1.8857	1.0934	2.2930
S3	2.6731	1.7573		3.5456	2.3930	1.3426
H4	1.0204	1.8857	3.5456		2.2533	3.5825
H5	2.1036	1.0934	2.3930	2.2533		3.2703
H6	2.5674	2.2930	1.3426	3.5825	3.2703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.849	N1	C2	H5	125.100
C2	N1	H4	109.962	C2	S3	H6	94.461
S3	C2	H5	112.051

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

using model chemistry: CCSD(T)/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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