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	hartrees
Energy at 0K	-492.091384
Energy at 298.15K	-492.095027
HF Energy	-491.606939
Nuclear repulsion energy	93.855463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3738	3601	49.20
2	A'	3591	3459	78.72
3	A'	3140	3025	16.58
4	A'	1659	1598	189.44
5	A'	1472	1418	219.70
6	A'	1309	1261	185.23
7	A'	1147	1105	26.25
8	A'	893	860	16.78
9	A'	432	416	1.67
10	A"	959	924	30.00
11	A"	614	591	1.62
12	A"	303	292	180.10

Atom	x (Å)	y (Å)
C1	0.000	0.645
S2	-0.783	-0.813
N3	1.340	0.826
H4	-0.558	1.593
H5	1.952	0.018
H6	1.745	1.752

	C1	S2	N3	H4	H5	H6
C1		1.6549	1.3526	1.1006	2.0498	2.0668
S2	1.6549		2.6820	2.4172	2.8578	3.6014
N3	1.3526	2.6820		2.0480	1.0128	1.0107
H4	1.1006	2.4172	2.0480		2.9633	2.3090
H5	2.0498	2.8578	1.0128	2.9633		1.7459
H6	2.0668	3.6014	1.0107	2.3090	1.7459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.436	C1	N3	H6	121.300
S2	C1	N3	125.902	S2	C1	H4	121.305
H5	N3	H6	119.265

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)