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	hartrees
Energy at 0K	-492.809595
Energy at 298.15K	-492.813327
HF Energy	-492.809595
Nuclear repulsion energy	94.589120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3719	3580	32.91
2	A'	3586	3452	44.05
3	A'	3101	2986	34.89
4	A'	1677	1615	187.24
5	A'	1482	1427	196.18
6	A'	1337	1287	118.23
7	A'	1159	1116	23.62
8	A'	893	860	18.19
9	A'	438	422	1.95
10	A"	959	923	36.64
11	A"	638	614	9.31
12	A"	372	358	240.28

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.774	-0.811
N3	1.324	0.828
H4	-0.561	1.576
H5	1.942	0.031
H6	1.726	1.751

	C1	S2	N3	H4	H5	H6
C1		1.6423	1.3378	1.0931	2.0345	2.0545
S2	1.6423		2.6625	2.3965	2.8434	3.5800
N3	1.3378	2.6625		2.0276	1.0085	1.0067
H4	1.0931	2.3965	2.0276		2.9409	2.2938
H5	2.0345	2.8434	1.0085	2.9409		1.7333
H6	2.0545	3.5800	1.0067	2.2938	1.7333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.583	C1	N3	H6	121.763
S2	C1	N3	126.311	S2	C1	H4	121.040
H5	N3	H6	118.655

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B3PW91/6-311G*

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	-0.153
2	S	-0.165
3	N	-0.673
4	H	0.234
5	H	0.389
6	H	0.369

	x	y	z	Total
	3.433	3.258	0.000	4.733
CHELPG
AIM
ESP

	x	y	z
x	6.331	2.326	0.000
y	2.326	6.782	0.000
z	0.000	0.000	2.484

<r²>	67.371
(<r²>)^1/2	8.208

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)