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	hartrees
Energy at 0K	-492.422611
Energy at 298.15K	-492.426298
HF Energy	-491.617905
Nuclear repulsion energy	94.269552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3494	3494
2	A'	3086	3086
3	A'	2692	2692
4	A'	1639	1639
5	A'	1385	1385
6	A'	1203	1203
7	A'	938	938
8	A'	725	725
9	A'	424	424
10	A"	1057	1057
11	A"	729	729
12	A"	375	375

Atom	x (Å)	y (Å)
N1	1.243	1.038
C2	0.000	0.767
S3	-0.618	-0.874
H4	1.384	2.048
H5	-0.803	1.507
H6	0.597	-1.443

	N1	C2	S3	H4	H5	H6
N1		1.2728	2.6684	1.0190	2.0992	2.5638
C2	1.2728		1.7530	1.8858	1.0919	2.2886
S3	2.6684	1.7530		3.5414	2.3878	1.3412
H4	1.0190	1.8858	3.5414		2.2526	3.5779
H5	2.0992	1.0919	2.3878	2.2526		3.2648
H6	2.5638	2.2886	1.3412	3.5779	3.2648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.953	N1	C2	H5	125.005
C2	N1	H4	110.244	C2	S3	H6	94.461
S3	C2	H5	112.041

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

using model chemistry: CCSD(T)=FULL/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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