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	hartrees
Energy at 0K	-874.804247
Energy at 298.15K
HF Energy	-874.255912
Nuclear repulsion energy	203.049380

Atom	x (Å)	y (Å)	z (Å)
C1	0.486	0.582	0.000
C2	-0.486	-0.582	0.000
S3	0.486	-2.131	0.000
S4	-0.486	2.131	0.000
H5	-0.568	-2.943	0.000
H6	0.568	2.943	0.000
H7	-1.114	-0.544	0.888
H8	-1.114	-0.544	-0.888
H9	1.114	0.544	0.888
H10	1.114	0.544	-0.888

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5159	2.7126	1.8282	3.6791	2.3627	2.1485	2.1485	1.0886	1.0886
C2	1.5159		1.8282	2.7126	2.3627	3.6791	1.0886	1.0886	2.1485	2.1485
S3	2.7126	1.8282		4.3707	1.3304	5.0745	2.4218	2.4218	2.8877	2.8877
S4	1.8282	2.7126	4.3707		5.0745	1.3304	2.8877	2.8877	2.4218	2.4218
H5	3.6791	2.3627	1.3304	5.0745		5.9948	2.6158	2.6158	3.9722	3.9722
H6	2.3627	3.6791	5.0745	1.3304	5.9948		3.9722	3.9722	2.6158	2.6158
H7	2.1485	1.0886	2.4218	2.8877	2.6158	3.9722		1.7764	2.4797	3.0503
H8	2.1485	1.0886	2.4218	2.8877	2.6158	3.9722	1.7764		3.0503	2.4797
H9	1.0886	2.1485	2.8877	2.4218	3.9722	2.6158	2.4797	3.0503		1.7764
H10	1.0886	2.1485	2.8877	2.4218	3.9722	2.6158	3.0503	2.4797	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.051	C1	C2	H7	110.077
C1	C2	H8	110.077	C1	S4	H6	95.543
C2	C1	S4	108.051	C2	C1	H9	110.077
C2	C1	H10	110.077	C2	S3	H5	95.543
S3	C2	H7	109.634	S3	C2	H8	109.634
S4	C1	H9	109.634	S4	C1	H10	109.634
H7	C2	H8	109.350	H9	C1	H10	109.350

All results from a given calculation for CH₂SHCH₂SH (1,2-Ethanedithiol)

using model chemistry: MP2/6-31+G**

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 CH2SHCH2SH (1,2-Ethanedithiol)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for CH₂SHCH₂SH (1,2-Ethanedithiol)