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	hartrees
Energy at 0K	-835.889006
Energy at 298.15K
HF Energy	-835.301257
Nuclear repulsion energy	141.980124

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	0.879	-0.050	1.421
H5	-0.879	0.050	1.421
H6	1.097	1.262	-0.896
H7	-1.097	-1.262	-0.896

	C1	S2	S3	H4	H5	H6	H7
C1		1.8157	1.8157	1.0868	1.0868	2.3706	2.3706
S2	1.8157		3.0774	2.4208	2.3558	1.3396	3.0918
S3	1.8157	3.0774		2.3558	2.4208	3.0918	1.3396
H4	1.0868	2.4208	2.3558		1.7616	2.6718	3.2777
H5	1.0868	2.3558	2.4208	1.7616		3.2777	2.6718
H6	2.3706	1.3396	3.0918	2.6718	3.2777		3.3439
H7	2.3706	3.0918	1.3396	3.2777	2.6718	3.3439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.241	C1	S3	H7	96.241
S2	C1	S3	115.871	S2	C1	H4	110.508
S2	C1	H5	105.765	S3	C1	H4	105.765
S3	C1	H5	110.508	H4	C1	H5	108.274

All results from a given calculation for HSCH₂SH (Methanedithiol)

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

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)