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	hartrees
Energy at 0K	-492.205056
Energy at 298.15K	-492.208737
HF Energy	-491.639616
Nuclear repulsion energy	95.093172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3799	61.13
2	A'	3660	3660	91.59
3	A'	3168	3168	16.31
4	A'	1669	1669	216.56
5	A'	1501	1501	200.43
6	A'	1330	1330	195.56
7	A'	1166	1166	26.66
8	A'	919	919	14.71
9	A'	442	442	1.63
10	A"	989	989	27.58
11	A"	634	634	2.78
12	A"	310	310	189.09

Atom	x (Å)	y (Å)
C1	0.000	0.633
S2	-0.775	-0.800
N3	1.327	0.812
H4	-0.548	1.571
H5	1.929	0.011
H6	1.729	1.727

	C1	S2	N3	H4	H5	H6
C1		1.6291	1.3389	1.0855	2.0267	2.0457
S2	1.6291		2.6485	2.3812	2.8224	3.5571
N3	1.3389	2.6485		2.0223	1.0020	0.9996
H4	1.0855	2.3812	2.0223		2.9267	2.2816
H5	2.0267	2.8224	1.0020	2.9267		1.7281
H6	2.0457	3.5571	0.9996	2.2816	1.7281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.250	C1	N3	H6	121.357
S2	C1	N3	126.062	S2	C1	H4	121.307
H5	N3	H6	119.393

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP3/Def2TZVPP

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: MP3/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)