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	hartrees
Energy at 0K	-492.751353
Energy at 298.15K	-492.755173
HF Energy	-492.751353
Nuclear repulsion energy	92.117750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3585	3558	17.56
2	A'	3446	3420	21.40
3	A'	3067	3044	29.19
4	A'	1641	1629	128.45
5	A'	1430	1420	137.72
6	A'	1305	1296	110.42
7	A'	1132	1123	14.35
8	A'	807	801	12.80
9	A'	415	412	3.06
10	A"	928	921	40.18
11	A"	672	667	147.62
12	A"	527	523	154.43

Atom	x (Å)	y (Å)
C1	0.000	0.671
S2	-0.786	-0.847
N3	1.346	0.865
H4	-0.577	1.606
H5	1.971	0.059
H6	1.756	1.799

	C1	S2	N3	H4	H5	H6
C1		1.7094	1.3602	1.0979	2.0639	2.0867
S2	1.7094		2.7346	2.4613	2.9020	3.6687
N3	1.3602	2.7346		2.0604	1.0200	1.0193
H4	1.0979	2.4613	2.0604		2.9802	2.3404
H5	2.0639	2.9020	1.0200	2.9802		1.7529
H6	2.0867	3.6687	1.0193	2.3404	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.562	C1	N3	H6	121.898
S2	C1	N3	125.580	S2	C1	H4	120.953
H5	N3	H6	118.540

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/6-31G

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	-0.149
2	S	-0.079
3	N	-0.566
4	H	0.154
5	H	0.326
6	H	0.314

	x	y	z	Total
	3.507	3.419	0.000	4.897
CHELPG
AIM
ESP

	x	y	z
x	6.171	2.400	0.000
y	2.400	6.701	0.000
z	0.000	0.000	2.050

<r²>	70.138
(<r²>)^1/2	8.375

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)