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	hartrees
Energy at 0K	-476.158476
Energy at 298.15K
HF Energy	-475.612834
Nuclear repulsion energy	93.343508

Atom	x (Å)	y (Å)
C1	1.289	1.096
C2	0.000	0.767
S3	-0.693	-0.855
H4	2.074	0.352
H5	1.582	2.136
H6	-0.765	1.532
H7	0.468	-1.523

	C1	C2	S3	H4	H5	H6	H7
C1		1.3306	2.7816	1.0816	1.0805	2.1005	2.7449
C2	1.3306		1.7640	2.1152	2.0922	1.0823	2.3376
S3	2.7816	1.7640		3.0190	3.7582	2.3883	1.3400
H4	1.0816	2.1152	3.0190		1.8510	3.0751	2.4685
H5	1.0805	2.0922	3.7582	1.8510		2.4240	3.8250
H6	2.1005	1.0823	2.3883	3.0751	2.4240		3.2950
H7	2.7449	2.3376	1.3400	2.4685	3.8250	3.2950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.460	C1	C2	H6	120.697
C2	C1	H4	122.199	C2	C1	H5	120.041
C2	S3	H7	96.765	S3	C2	H6	111.843
H4	C1	H5	117.759

All results from a given calculation for CH₂CHSH (Ethenethiol)

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 CH2CHSH (Ethenethiol)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)