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	hartrees
Energy at 0K	-492.215549
Energy at 298.15K
HF Energy	-491.643753
Nuclear repulsion energy	94.888860

Atom	x (Å)	y (Å)
C1	0.000	0.636
S2	-0.775	-0.803
N3	1.327	0.816
H4	-0.552	1.573
H5	1.934	0.016
H6	1.728	1.734

	C1	S2	N3	H4	H5	H6
C1		1.6347	1.3390	1.0877	2.0308	2.0478
S2	1.6347		2.6534	2.3869	2.8298	3.5646
N3	1.3390	2.6534		2.0259	1.0044	1.0020
H4	1.0877	2.3869	2.0259		2.9335	2.2864
H5	2.0308	2.8298	1.0044	2.9335		1.7306
H6	2.0478	3.5646	1.0020	2.2864	1.7306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.441	C1	N3	H6	121.357
S2	C1	N3	126.026	S2	C1	H4	121.189
H5	N3	H6	119.202

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)