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	hartrees
Energy at 0K	-835.892078
Energy at 298.15K
HF Energy	-835.301219
Nuclear repulsion energy	141.906653

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.784
S2	0.000	1.539	-0.180
S3	0.000	-1.539	-0.180
H4	0.880	-0.051	1.421
H5	-0.880	0.051	1.421
H6	1.100	1.263	-0.895
H7	-1.100	-1.263	-0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8166	1.8166	1.0871	1.0871	2.3713	2.3713
S2	1.8166		3.0790	2.4219	2.3567	1.3404	3.0940
S3	1.8166	3.0790		2.3567	2.4219	3.0940	1.3404
H4	1.0871	2.4219	2.3567		1.7626	2.6712	3.2787
H5	1.0871	2.3567	2.4219	1.7626		3.2787	2.6712
H6	2.3713	1.3404	3.0940	2.6712	3.2787		3.3489
H7	2.3713	3.0940	1.3404	3.2787	2.6712	3.3489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.206	C1	S3	H7	96.206
S2	C1	S3	115.869	S2	C1	H4	110.505
S2	C1	H5	105.746	S3	C1	H4	105.746
S3	C1	H5	110.505	H4	C1	H5	108.324

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD/daug-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/daug-cc-pVTZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)