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	hartrees
Energy at 0K	-835.960185
Energy at 298.15K
HF Energy	-835.311634
Nuclear repulsion energy	142.072919

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.786
S2	0.000	1.537	-0.180
S3	0.000	-1.537	-0.180
H4	0.881	-0.053	1.423
H5	-0.881	0.053	1.423
H6	1.092	1.249	-0.904
H7	-1.092	-1.249	-0.904

	C1	S2	S3	H4	H5	H6	H7
C1		1.8147	1.8147	1.0886	1.0886	2.3674	2.3674
S2	1.8147		3.0731	2.4230	2.3552	1.3410	3.0780
S3	1.8147	3.0731		2.3552	2.4230	3.0780	1.3410
H4	1.0886	2.4230	2.3552		1.7648	2.6742	3.2764
H5	1.0886	2.3552	2.4230	1.7648		3.2764	2.6742
H6	2.3674	1.3410	3.0780	2.6742	3.2764		3.3174
H7	2.3674	3.0780	1.3410	3.2764	2.6742	3.3174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	96.053	C1	S3	H7	96.053
S2	C1	S3	115.717	S2	C1	H4	110.642
S2	C1	H5	105.697	S3	C1	H4	105.697
S3	C1	H5	110.642	H4	C1	H5	108.311

All results from a given calculation for HSCH₂SH (Methanedithiol)

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

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)