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	hartrees
Energy at 0K	-487.112649
Energy at 298.15K
HF Energy	-487.112649
Nuclear repulsion energy	92.307818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3462	0.86
2	A'	3508	3246	15.67
3	A'	3154	2918	19.43
4	A'	1680	1554	61.55
5	A'	1517	1404	73.61
6	A'	1291	1195	88.93
7	A'	1139	1054	4.72
8	A'	906	839	1.21
9	A'	406	376	1.87
10	A"	891	824	12.96
11	A"	556	514	1.34
12	A"	343i	317i	215.02

Atom	x (Å)	y (Å)
C1	0.000	0.631
S2	-0.839	-0.773
N3	1.418	0.759
H4	-0.440	1.663
H5	2.034	-0.090
H6	1.902	1.691

	C1	S2	N3	H4	H5	H6
C1		1.6356	1.4234	1.1215	2.1580	2.1772
S2	1.6356		2.7274	2.4682	2.9526	3.6854
N3	1.4234	2.7274		2.0656	1.0497	1.0500
H4	1.1215	2.4682	2.0656		3.0320	2.3419
H5	2.1580	2.9526	1.0497	3.0320		1.7863
H6	2.1772	3.6854	1.0500	2.3419	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	120.785	C1	N3	H6	122.626
S2	C1	N3	126.017	S2	C1	H4	126.056
H5	N3	H6	116.588

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/STO-3G

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	-0.120
2	S	0.009
3	N	-0.341
4	H	0.059
5	H	0.198
6	H	0.195

	x	y	z	Total
	2.341	1.416	0.000	2.736
CHELPG
AIM
ESP

	x	y	z
x	3.701	1.614	0.000
y	1.614	3.563	0.000
z	0.000	0.000	0.693

<r²>	67.926
(<r²>)^1/2	8.242

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)