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	hartrees
Energy at 0K	-34.526141
Energy at 298.15K	-34.519048
HF Energy	-34.234239
Nuclear repulsion energy	64.098903

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.774	0.000
C2	0.000	-0.774	0.000
S3	1.833	-1.353	0.000
S4	-1.833	1.353	0.000
H5	1.558	-2.715	0.000
H6	-1.558	2.715	0.000
H7	-0.491	-1.164	0.902
H8	-0.491	-1.164	-0.902
H9	0.491	1.164	0.902
H10	0.491	1.164	-0.902

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5470	2.8077	1.9225	3.8210	2.4896	2.1931	2.1931	1.0991	1.0991
C2	1.5470		1.9225	2.8077	2.4896	3.8210	1.0991	1.0991	2.1931	2.1931
S3	2.8077	1.9225		4.5569	1.3895	5.2965	2.5005	2.5005	2.9919	2.9919
S4	1.9225	2.8077	4.5569		5.2965	1.3895	2.9919	2.9919	2.5005	2.5005
H5	3.8210	2.4896	1.3895	5.2965		6.2612	2.7241	2.7241	4.1233	4.1233
H6	2.4896	3.8210	5.2965	1.3895	6.2612		4.1233	4.1233	2.7241	2.7241
H7	2.1931	1.0991	2.5005	2.9919	2.7241	4.1233		1.8045	2.5271	3.1052
H8	2.1931	1.0991	2.5005	2.9919	2.7241	4.1233	1.8045		3.1052	2.5271
H9	1.0991	2.1931	2.9919	2.5005	4.1233	2.7241	2.5271	3.1052		1.8045
H10	1.0991	2.1931	2.9919	2.5005	4.1233	2.7241	3.1052	2.5271	1.8045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	107.553	C1	C2	H7	110.815
C1	C2	H8	110.815	C1	S4	H6	96.141
C2	C1	S4	107.553	C2	C1	H9	110.815
C2	C1	H10	110.815	C2	S3	H5	96.141
S3	C2	H7	108.606	S3	C2	H8	108.606
S4	C1	H9	108.606	S4	C1	H10	108.606
H7	C2	H8	110.349	H9	C1	H10	110.349

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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