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	hartrees
Energy at 0K	-835.954940
Energy at 298.15K
HF Energy	-835.311158
Nuclear repulsion energy	142.076102

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
S2	0.000	1.537	-0.180
S3	0.000	-1.537	-0.180
H4	0.880	-0.053	1.423
H5	-0.880	0.053	1.423
H6	1.090	1.248	-0.905
H7	-1.090	-1.248	-0.905

	C1	S2	S3	H4	H5	H6	H7
C1		1.8146	1.8146	1.0882	1.0882	2.3666	2.3666
S2	1.8146		3.0739	2.4228	2.3545	1.3405	3.0774
S3	1.8146	3.0739		2.3545	2.4228	3.0774	1.3405
H4	1.0882	2.4228	2.3545		1.7637	2.6747	3.2750
H5	1.0882	2.3545	2.4228	1.7637		3.2750	2.6747
H6	2.3666	1.3405	3.0774	2.6747	3.2750		3.3137
H7	2.3666	3.0774	1.3405	3.2750	2.6747	3.3137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.034	C1	S3	H7	96.034
S2	C1	S3	115.775	S2	C1	H4	110.655
S2	C1	H5	105.673	S3	C1	H4	105.673
S3	C1	H5	110.655	H4	C1	H5	108.269

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)/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 HSCH2SH (Methanedithiol)

using model chemistry: CCSD(T)/cc-pVQZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)