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	hartrees
Energy at 0K	-492.849300
Energy at 298.15K	-492.853070
HF Energy	-492.849300
Nuclear repulsion energy	94.693217

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	52.21	88.00	0.63	0.77
2	A'	3610	3453	70.80	151.47	0.15	0.27
3	A'	3120	2985	24.98	124.49	0.35	0.52
4	A'	1658	1586	213.32	3.61	0.65	0.79
5	A'	1484	1420	196.12	0.56	0.05	0.10
6	A'	1338	1280	137.12	2.25	0.43	0.60
7	A'	1159	1109	27.17	9.36	0.45	0.62
8	A'	898	859	22.66	17.07	0.23	0.37
9	A'	443	424	1.63	4.09	0.73	0.84
10	A"	975	932	31.57	0.84	0.75	0.86
11	A"	635	608	10.12	1.20	0.75	0.86
12	A"	395	378	216.54	0.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.638
S2	-0.773	-0.810
N3	1.324	0.826
H4	-0.562	1.573
H5	1.938	0.026
H6	1.723	1.748

	C1	S2	N3	H4	H5	H6
C1		1.6407	1.3369	1.0914	2.0317	2.0503
S2	1.6407		2.6588	2.3920	2.8363	3.5741
N3	1.3369	2.6588		2.0287	1.0080	1.0054
H4	1.0914	2.3920	2.0287		2.9398	2.2926
H5	2.0317	2.8363	1.0080	2.9398		1.7351
H6	2.0503	3.5741	1.0054	2.2926	1.7351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.441	C1	N3	H6	121.523
S2	C1	N3	126.184	S2	C1	H4	120.886
H5	N3	H6	119.036

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: wB97X-D/6-311G**

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	-0.101
2	S	-0.183
3	N	-0.382
4	H	0.149
5	H	0.269
6	H	0.249

	x	y	z	Total
	3.424	3.331	0.000	4.777
CHELPG
AIM
ESP

	x	y	z
x	6.278	2.323	0.000
y	2.323	6.782	0.000
z	0.000	0.000	2.541

<r²>	67.253
(<r²>)^1/2	8.201

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)