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	hartrees
Energy at 0K	-835.784324
Energy at 298.15K
HF Energy	-835.259971
Nuclear repulsion energy	140.422401

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.797
S2	0.000	1.554	-0.182
S3	0.000	-1.554	-0.182
H4	0.893	-0.053	1.440
H5	-0.893	0.053	1.440
H6	1.103	1.256	-0.911
H7	-1.103	-1.256	-0.911

	C1	S2	S3	H4	H5	H6	H7
C1		1.8373	1.8373	1.1013	1.1013	2.3895	2.3895
S2	1.8373		3.1090	2.4520	2.3839	1.3550	3.1053
S3	1.8373	3.1090		2.3839	2.4520	3.1053	1.3550
H4	1.1013	2.4520	2.3839		1.7886	2.6985	3.3096
H5	1.1013	2.3839	2.4520	1.7886		3.3096	2.6985
H6	2.3895	1.3550	3.1053	2.6985	3.3096		3.3420
H7	2.3895	3.1053	1.3550	3.3096	2.6985	3.3420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.737	C1	S3	H7	95.737
S2	C1	S3	115.570	S2	C1	H4	110.595
S2	C1	H5	105.689	S3	C1	H4	105.689
S3	C1	H5	110.595	H4	C1	H5	108.599

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)