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	hartrees
Energy at 0K	-492.401680
Energy at 298.15K	-492.405374
HF Energy	-491.639722
Nuclear repulsion energy	95.219152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3798	3798	61.47
2	A'	3660	3660	91.97
3	A'	3167	3167	16.00
4	A'	1671	1671	215.69
5	A'	1505	1505	197.54
6	A'	1331	1331	201.39
7	A'	1170	1170	26.41
8	A'	921	921	14.29
9	A'	442	442	1.60
10	A"	994	994	27.36
11	A"	636	636	3.10
12	A"	317	317	189.40

Atom	x (Å)	y (Å)
C1	0.000	0.632
S2	-0.774	-0.799
N3	1.325	0.811
H4	-0.547	1.567
H5	1.927	0.012
H6	1.726	1.726

	C1	S2	N3	H4	H5	H6
C1		1.6268	1.3372	1.0833	2.0245	2.0432
S2	1.6268		2.6454	2.3770	2.8199	3.5528
N3	1.3372	2.6454		2.0188	1.0009	0.9985
H4	1.0833	2.3770	2.0188		2.9223	2.2783
H5	2.0245	2.8199	1.0009	2.9223		1.7259
H6	2.0432	3.5528	0.9985	2.2783	1.7259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.271	C1	N3	H6	121.368
S2	C1	N3	126.102	S2	C1	H4	121.277
H5	N3	H6	119.361

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP3=FULL/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=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)