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	hartrees
Energy at 0K	-492.271237
Energy at 298.15K	-492.274977
HF Energy	-491.641470
Nuclear repulsion energy	95.206620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3547	60.25
2	A'	3673	3426	92.27
3	A'	3188	2973	16.14
4	A'	1687	1574	214.08
5	A'	1511	1409	213.29
6	A'	1342	1252	179.03
7	A'	1168	1089	26.17
8	A'	920	858	15.34
9	A'	442	413	1.89
10	A"	1008	940	25.88
11	A"	644	601	5.16
12	A"	346	322	185.46

Atom	x (Å)	y (Å)
C1	0.000	0.634
S2	-0.772	-0.802
N3	1.322	0.816
H4	-0.549	1.564
H5	1.925	0.018
H6	1.720	1.731

	C1	S2	N3	H4	H5	H6
C1		1.6306	1.3341	1.0800	2.0207	2.0402
S2	1.6306		2.6460	2.3768	2.8183	3.5535
N3	1.3341	2.6460		2.0146	1.0002	0.9978
H4	1.0800	2.3768	2.0146		2.9169	2.2754
H5	2.0207	2.8183	1.0002	2.9169		1.7249
H6	2.0402	3.5535	0.9978	2.2754	1.7249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.224	C1	N3	H6	121.398
S2	C1	N3	126.093	S2	C1	H4	121.197
H5	N3	H6	119.378

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP3=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)