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	hartrees
Energy at 0K	-489.478526
Energy at 298.15K	-489.482260
HF Energy	-489.166051
Nuclear repulsion energy	93.824058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3404	3168	1.08
2	A'	3134	2916	28.60
3	A'	2811	2615	0.38
4	A'	1693	1575	74.91
5	A'	1457	1356	26.60
6	A'	1260	1173	62.04
7	A'	1000	930	49.73
8	A'	717	667	67.98
9	A'	447	416	17.58
10	A"	1139	1060	4.03
11	A"	774	721	91.16
12	A"	368	343	46.50

Atom	x (Å)	y (Å)
N1	1.249	1.031
C2	0.000	0.781
S3	-0.625	-0.876
H4	1.470	2.035
H5	-0.810	1.511
H6	0.589	-1.437

	N1	C2	S3	H4	H5	H6
N1		1.2737	2.6729	1.0287	2.1141	2.5545
C2	1.2737		1.7706	1.9326	1.0903	2.2949
S3	2.6729	1.7706		3.5864	2.3940	1.3368
H4	1.0287	1.9326	3.5864		2.3396	3.5825
H5	2.1141	1.0903	2.3940	2.3396		3.2630
H6	2.5545	2.2949	1.3368	3.5825	3.2630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	121.959	N1	C2	H5	126.661
C2	N1	H4	113.725	C2	S3	H6	94.173
S3	C2	H5	111.380

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

using model chemistry: CID/3-21G*

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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