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	hartrees
Energy at 0K	-492.115384
Energy at 298.15K	-492.119137
HF Energy	-491.622570
Nuclear repulsion energy	94.862442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3631	3631	8.86
2	A'	3185	3185	21.21
3	A'	2824	2824	2.21
4	A'	1758	1758	159.26
5	A'	1453	1453	26.73
6	A'	1255	1255	25.06
7	A'	978	978	54.08
8	A'	748	748	65.05
9	A'	442	442	20.82
10	A"	1133	1133	3.85
11	A"	769	769	74.26
12	A"	379	379	34.70

Atom	x (Å)	y (Å)
N1	1.223	1.049
C2	0.000	0.765
S3	-0.606	-0.876
H4	1.354	2.048
H5	-0.803	1.493
H6	0.593	-1.447

	N1	C2	S3	H4	H5	H6
N1		1.2550	2.6554	1.0083	2.0741	2.5738
C2	1.2550		1.7499	1.8655	1.0841	2.2903
S3	2.6554	1.7499		3.5210	2.3776	1.3286
H4	1.0083	1.8655	3.5210		2.2276	3.5772
H5	2.0741	1.0841	2.3776	2.2276		3.2549
H6	2.5738	2.2903	1.3286	3.5772	3.2549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	123.334	N1	C2	H5	124.761
C2	N1	H4	110.546	C2	S3	H6	95.161
S3	C2	H5	111.905

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

using model chemistry: CID/Def2TZVPP

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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