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	hartrees
Energy at 0K	-835.890524
Energy at 298.15K
HF Energy	-835.301041
Nuclear repulsion energy	141.911537

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
S2	0.000	1.539	-0.180
S3	0.000	-1.539	-0.180
H4	0.880	-0.050	1.421
H5	-0.880	0.050	1.421
H6	1.098	1.261	-0.896
H7	-1.098	-1.261	-0.896

	C1	S2	S3	H4	H5	H6	H7
C1		1.8168	1.8168	1.0871	1.0871	2.3712	2.3712
S2	1.8168		3.0786	2.4220	2.3570	1.3403	3.0919
S3	1.8168	3.0786		2.3570	2.4220	3.0919	1.3403
H4	1.0871	2.4220	2.3570		1.7627	2.6719	3.2786
H5	1.0871	2.3570	2.4220	1.7627		3.2786	2.6719
H6	2.3712	1.3403	3.0919	2.6719	3.2786		3.3440
H7	2.3712	3.0919	1.3403	3.2786	2.6719	3.3440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.192	C1	S3	H7	96.192
S2	C1	S3	115.836	S2	C1	H4	110.505
S2	C1	H5	105.760	S3	C1	H4	105.760
S3	C1	H5	110.505	H4	C1	H5	108.332

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD/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 HSCH2SH (Methanedithiol)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)