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	hartrees
Energy at 0K	-492.557823
Energy at 298.15K	-492.561763
HF Energy	-492.557823
Nuclear repulsion energy	93.318180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3748	3585	41.20	93.12	0.65	0.79
2	A'	3606	3450	59.80	174.99	0.16	0.28
3	A'	3187	3048	18.44	123.36	0.34	0.50
4	A'	1706	1632	175.29	5.31	0.75	0.86
5	A'	1504	1439	181.91	2.93	0.17	0.29
6	A'	1377	1317	101.91	3.89	0.58	0.74
7	A'	1182	1131	21.21	13.38	0.52	0.68
8	A'	859	822	17.36	13.96	0.27	0.42
9	A'	436	417	2.64	5.26	0.68	0.81
10	A"	985	942	36.98	1.04	0.75	0.86
11	A"	742	710	247.09	0.70	0.75	0.86
12	A"	569	544	114.19	0.81	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.662
S2	-0.773	-0.838
N3	1.326	0.859
H4	-0.585	1.581
H5	1.947	0.063
H6	1.727	1.783

	C1	S2	N3	H4	H5	H6
C1		1.6874	1.3403	1.0894	2.0367	2.0593
S2	1.6874		2.6988	2.4264	2.8648	3.6224
N3	1.3403	2.6988		2.0426	1.0094	1.0078
H4	1.0894	2.4264	2.0426		2.9518	2.3210
H5	2.0367	2.8648	1.0094	2.9518		1.7343
H6	2.0593	3.6224	1.0078	2.3210	1.7343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.508	C1	N3	H6	121.924
S2	C1	N3	125.708	S2	C1	H4	120.268
H5	N3	H6	118.568

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HSEh1PBE/6-31G

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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Number	Element	Mulliken
1	C	-0.204
2	S	-0.062
3	N	-0.674
4	H	0.206
5	H	0.373
6	H	0.361

	x	y	z	Total
	3.578	3.622	0.000	5.091
CHELPG
AIM
ESP

	x	y	z
x	5.816	2.307	0.000
y	2.307	6.485	0.000
z	0.000	0.000	2.035

<r²>	68.709
(<r²>)^1/2	8.289

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)