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	hartrees
Energy at 0K	-27.466639
Energy at 298.15K	-27.470545
HF Energy	-27.466639
Nuclear repulsion energy	35.576158

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'	3747	3747	29.77	85.92	0.64	0.78
2	A'	3588	3588	48.73	189.36	0.17	0.29
3	A'	3137	3137	26.84	136.32	0.33	0.50
4	A'	1691	1691	176.30	4.82	0.74	0.85
5	A'	1472	1472	179.18	1.97	0.18	0.31
6	A'	1333	1333	172.26	4.17	0.35	0.52
7	A'	1162	1162	26.55	12.60	0.45	0.62
8	A'	850	850	17.36	18.96	0.21	0.35
9	A'	424	424	1.82	6.96	0.70	0.82
10	A"	965	965	44.33	2.20	0.75	0.86
11	A"	692	692	201.72	0.81	0.75	0.86
12	A"	556	556	131.35	0.32	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.670
S2	-0.785	-0.840
N3	1.346	0.857
H4	-0.575	1.597
H5	1.956	0.051
H6	1.754	1.780

	C1	S2	N3	H4	H5	H6
C1		1.7020	1.3587	1.0913	2.0513	2.0752
S2	1.7020		2.7238	2.4466	2.8816	3.6479
N3	1.3587	2.7238		2.0588	1.0106	1.0090
H4	1.0913	2.4466	2.0588		2.9660	2.3361
H5	2.0513	2.8816	1.0106	2.9660		1.7404
H6	2.0752	3.6479	1.0090	2.3361	1.7404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.218	C1	N3	H6	121.748
S2	C1	N3	125.353	S2	C1	H4	120.733
H5	N3	H6	119.034

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: wB97X-D/CEP-121G

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	-0.275
2	S	-0.132
3	N	-0.461
4	H	0.190
5	H	0.346
6	H	0.332

	x	y	z	Total
	3.623	3.680	0.000	5.164
CHELPG
AIM
ESP

	x	y	z
x	6.275	2.397	0.000
y	2.397	7.050	0.000
z	0.000	0.000	2.596

<r²>	50.067
(<r²>)^1/2	7.076

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)