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	hartrees
Energy at 0K	-835.892911
Energy at 298.15K
HF Energy	-835.311719
Nuclear repulsion energy	142.746930

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.784
S2	0.000	1.528	-0.179
S3	0.000	-1.528	-0.179
H4	0.879	-0.054	1.421
H5	-0.879	0.054	1.421
H6	1.078	1.228	-0.909
H7	-1.078	-1.228	-0.909

	C1	S2	S3	H4	H5	H6	H7
C1		1.8064	1.8064	1.0864	1.0864	2.3529	2.3529
S2	1.8064		3.0569	2.4154	2.3463	1.3359	3.0486
S3	1.8064	3.0569		2.3463	2.4154	3.0486	1.3359
H4	1.0864	2.4154	2.3463		1.7604	2.6667	3.2610
H5	1.0864	2.3463	2.4154	1.7604		3.2610	2.6667
H6	2.3529	1.3359	3.0486	2.6667	3.2610		3.2681
H7	2.3529	3.0486	1.3359	3.2610	2.6667	3.2681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H6	95.804	C1	S3	H7	95.804
S2	C1	S3	115.588	S2	C1	H4	110.753
S2	C1	H5	105.694	S3	C1	H4	105.694
S3	C1	H5	110.753	H4	C1	H5	108.227

All results from a given calculation for HSCH₂SH (Methanedithiol)

using model chemistry: MP2/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: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for HSCH₂SH (Methanedithiol)