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	hartrees
Energy at 0K	-27.462504
Energy at 298.15K	-27.466352
HF Energy	-27.462504
Nuclear repulsion energy	35.425111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3681	3587	18.65
2	A'	3525	3435	30.51
3	A'	3099	3020	30.88
4	A'	1668	1625	148.58
5	A'	1445	1408	154.97
6	A'	1307	1274	158.48
7	A'	1139	1110	19.18
8	A'	827	806	12.97
9	A'	413	402	2.19
10	A"	940	916	47.61
11	A"	663	646	150.55
12	A"	533	519	155.80

Atom	x (Å)	y (Å)
C1	0.000	0.672
S2	-0.789	-0.844
N3	1.353	0.861
H4	-0.572	1.604
H5	1.967	0.055
H6	1.761	1.788

	C1	S2	N3	H4	H5	H6
C1		1.7088	1.3657	1.0938	2.0613	2.0847
S2	1.7088		2.7373	2.4574	2.8987	3.6644
N3	1.3657	2.7373		2.0634	1.0135	1.0128
H4	1.0938	2.4574	2.0634		2.9745	2.3404
H5	2.0613	2.8987	1.0135	2.9745		1.7453
H6	2.0847	3.6644	1.0128	2.3404	1.7453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.342	C1	N3	H6	121.731
S2	C1	N3	125.462	S2	C1	H4	120.947
H5	N3	H6	118.927

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B3LYP/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	-0.267
2	S	-0.118
3	N	-0.423
4	H	0.170
5	H	0.325
6	H	0.313

	x	y	z	Total
	3.481	3.468	0.000	4.913
CHELPG
AIM
ESP

	x	y	z
x	6.504	2.423	0.000
y	2.423	7.205	0.000
z	0.000	0.000	2.609

<r²>	50.491
(<r²>)^1/2	7.106

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)