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	hartrees
Energy at 0K	-26.848787
Energy at 298.15K	-26.852586
HF Energy	-26.848787
Nuclear repulsion energy	36.289852

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'	3941	3560	59.21	68.23	0.64	0.78
2	A'	3799	3432	92.49	115.05	0.16	0.27
3	A'	3313	2993	25.89	110.84	0.34	0.51
4	A'	1802	1628	209.31	4.83	0.75	0.86
5	A'	1578	1426	231.49	1.22	0.59	0.74
6	A'	1385	1251	285.55	4.95	0.19	0.32
7	A'	1224	1106	64.11	6.49	0.39	0.56
8	A'	917	829	56.05	14.04	0.16	0.28
9	A'	457	413	1.95	4.75	0.65	0.79
10	A"	1074	970	20.03	2.73	0.75	0.86
11	A"	669	605	11.00	0.75	0.75	0.86
12	A"	369	334	277.82	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.643
S2	-0.770	-0.817
N3	1.320	0.837
H4	-0.563	1.567
H5	1.935	0.050
H6	1.713	1.752

	C1	S2	N3	H4	H5	H6
C1		1.6508	1.3344	1.0824	2.0233	2.0412
S2	1.6508		2.6658	2.3933	2.8408	3.5737
N3	1.3344	2.6658		2.0200	0.9979	0.9963
H4	1.0824	2.3933	2.0200		2.9222	2.2841
H5	2.0233	2.8408	0.9979	2.9222		1.7161
H6	2.0412	3.5737	0.9963	2.2841	1.7161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.641	C1	N3	H6	121.609
S2	C1	N3	126.181	S2	C1	H4	120.827
H5	N3	H6	118.750

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HF/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	0.069
2	S	-0.422
3	N	-0.644
4	H	0.210
5	H	0.401
6	H	0.385

	x	y	z	Total
	3.517	3.789	0.000	5.170
CHELPG
AIM
ESP

	x	y	z
x	6.048	2.070	0.000
y	2.070	6.791	0.000
z	0.000	0.000	2.988

<r²>	48.698
(<r²>)^1/2	6.978

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)