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	hartrees
Energy at 0K	-492.807008
Energy at 298.15K	-492.810619
HF Energy	-492.807008
Nuclear repulsion energy	93.783962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3591	3571	26.93
2	A'	3456	3437	27.22
3	A'	3004	2988	30.59
4	A'	1587	1579	138.59
5	A'	1413	1405	157.03
6	A'	1284	1277	90.12
7	A'	1103	1097	11.82
8	A'	849	845	11.28
9	A'	420	418	2.85
10	A"	930	925	21.11
11	A"	620	616	3.16
12	A"	314	312	157.70

Atom	x (Å)	y (Å)
C1	0.000	0.644
S2	-0.785	-0.813
N3	1.341	0.825
H4	-0.546	1.600
H5	1.954	0.013
H6	1.758	1.751

	C1	S2	N3	H4	H5	H6
C1		1.6549	1.3532	1.1005	2.0535	2.0768
S2	1.6549		2.6834	2.4243	2.8606	3.6102
N3	1.3532	2.6834		2.0400	1.0171	1.0152
H4	1.1005	2.4243	2.0400		2.9610	2.3083
H5	2.0535	2.8606	1.0171	2.9610		1.7486
H6	2.0768	3.6102	1.0152	2.3083	1.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.399	C1	N3	H6	121.877
S2	C1	N3	125.968	S2	C1	H4	121.959
H5	N3	H6	118.724

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/6-31G(2df,p)

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	0.107
2	S	-0.367
3	N	-0.361
4	H	0.113
5	H	0.258
6	H	0.250

	x	y	z	Total
	3.288	3.060	0.000	4.492
CHELPG
AIM
ESP

	x	y	z
x	6.853	2.046	0.000
y	2.046	6.923	0.000
z	0.000	0.000	3.153

<r²>	67.983
(<r²>)^1/2	8.245

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)