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	hartrees
Energy at 0K	-492.219760
Energy at 298.15K	-492.223440
HF Energy	-491.621961
Nuclear repulsion energy	93.892693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3468	3380
2	A'	3081	3004
3	A'	2700	2632
4	A'	1635	1594
5	A'	1385	1350
6	A'	1209	1179
7	A'	928	905
8	A'	712	694
9	A'	421	410
10	A"	1062	1035
11	A"	729	711
12	A"	374	365

Atom	x (Å)	y (Å)
N1	1.246	1.044
C2	0.000	0.774
S3	-0.618	-0.880
H4	1.373	2.057
H5	-0.808	1.509
H6	0.604	-1.438

	N1	C2	S3	H4	H5	H6
N1		1.2749	2.6796	1.0200	2.1056	2.5638
C2	1.2749		1.7665	1.8787	1.0919	2.2932
S3	2.6796	1.7665		3.5484	2.3971	1.3434
H4	1.0200	1.8787	3.5484		2.2485	3.5779
H5	2.1056	1.0919	2.3971	2.2485		3.2677
H6	2.5638	2.2932	1.3434	3.5779	3.2677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.713	N1	C2	H5	125.478
C2	N1	H4	109.391	C2	S3	H6	94.025
S3	C2	H5	111.809

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

using model chemistry: CCSD(T)/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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