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	hartrees
Energy at 0K	-492.695306
Energy at 298.15K
HF Energy	-492.498803
Nuclear repulsion energy	94.438086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3728	45.84
2	A'	3590	3590	67.12
3	A'	3122	3122	28.90
4	A'	1654	1654	178.61
5	A'	1476	1476	177.41
6	A'	1328	1328	143.36
7	A'	1153	1153	19.63
8	A'	888	888	14.66
9	A'	437	437	1.59
10	A"	962	962	36.24
11	A"	623	623	3.20
12	A"	298	298	210.80

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.777	-0.811
N3	1.330	0.826
H4	-0.557	1.577
H5	1.943	0.025
H6	1.730	1.749

	C1	S2	N3	H4	H5	H6
C1		1.6445	1.3430	1.0905	2.0372	2.0559
S2	1.6445		2.6676	2.3975	2.8448	3.5829
N3	1.3430	2.6676		2.0303	1.0083	1.0061
H4	1.0905	2.3975	2.0303		2.9415	2.2933
H5	2.0372	2.8448	1.0083	2.9415		1.7369
H6	2.0559	3.5829	1.0061	2.2933	1.7369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.407	C1	N3	H6	121.462
S2	C1	N3	126.192	S2	C1	H4	121.134
H5	N3	H6	119.131

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)