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	hartrees
Energy at 0K	-476.308699
Energy at 298.15K
HF Energy	-475.621630
Nuclear repulsion energy	93.759108

Atom	x (Å)	y (Å)
C1	1.285	1.090
C2	0.000	0.763
S3	-0.691	-0.850
H4	2.066	0.347
H5	1.577	2.126
H6	-0.762	1.526
H7	0.466	-1.517

	C1	C2	S3	H4	H5	H6	H7
C1		1.3257	2.7688	1.0779	1.0766	2.0926	2.7322
C2	1.3257		1.7544	2.1074	2.0849	1.0786	2.3267
S3	2.7688	1.7544		3.0058	3.7419	2.3771	1.3358
H4	1.0779	2.1074	3.0058		1.8445	3.0639	2.4564
H5	1.0766	2.0849	3.7419	1.8445		2.4151	3.8084
H6	2.0926	1.0786	2.3771	3.0639	2.4151		3.2815
H7	2.7322	2.3267	1.3358	2.4564	3.8084	3.2815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.486	C1	C2	H6	120.652
C2	C1	H4	122.166	C2	C1	H5	120.068
C2	S3	H7	96.754	S3	C2	H6	111.862
H4	C1	H5	117.766

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCSD=FULL/cc-pVQZ

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: CCSD=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)