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	hartrees
Energy at 0K	-874.429734
Energy at 298.15K	-874.435756
HF Energy	-874.133620
Nuclear repulsion energy	196.625730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3118	2984	0.00
2	A_g	2523	2414	0.00
3	A_g	1561	1494	0.00
4	A_g	1397	1336	0.00
5	A_g	1120	1072	0.00
6	A_g	865	828	0.00
7	A_g	706	675	0.00
8	A_g	273	261	0.00
9	A_u	3201	3063	12.68
10	A_u	1169	1118	2.99
11	A_u	813	778	4.28
12	A_u	126	121	25.26
13	A_u	81	77	50.46
14	B_g	3181	3043	0.00
15	B_g	1358	1299	0.00
16	B_g	1008	965	0.00
17	B_g	128	123	0.00
18	B_u	3126	2991	19.47
19	B_u	2524	2415	87.06
20	B_u	1562	1495	6.78
21	B_u	1312	1255	62.23
22	B_u	853	816	11.99
23	B_u	674	645	9.81
24	B_u	195	186	11.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.764	0.000
C2	0.000	-0.764	0.000
S3	1.823	-1.352	0.000
S4	-1.823	1.352	0.000
H5	1.549	-2.702	0.000
H6	-1.549	2.702	0.000
H7	-0.493	-1.156	0.896
H8	-0.493	-1.156	-0.896
H9	0.493	1.156	0.896
H10	0.493	1.156	-0.896

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5281	2.7931	1.9153	3.7966	2.4810	2.1748	2.1748	1.0945	1.0945
C2	1.5281		1.9153	2.7931	2.4810	3.7966	1.0945	1.0945	2.1748	2.1748
S3	2.7931	1.9153		4.5393	1.3775	5.2732	2.4903	2.4903	2.9768	2.9768
S4	1.9153	2.7931	4.5393		5.2732	1.3775	2.9768	2.9768	2.4903	2.4903
H5	3.7966	2.4810	1.3775	5.2732		6.2292	2.7131	2.7131	4.0989	4.0989
H6	2.4810	3.7966	5.2732	1.3775	6.2292		4.0989	4.0989	2.7131	2.7131
H7	2.1748	1.0945	2.4903	2.9768	2.7131	4.0989		1.7910	2.5125	3.0855
H8	2.1748	1.0945	2.4903	2.9768	2.7131	4.0989	1.7910		3.0855	2.5125
H9	1.0945	2.1748	2.9768	2.4903	4.0989	2.7131	2.5125	3.0855		1.7910
H10	1.0945	2.1748	2.9768	2.4903	4.0989	2.7131	3.0855	2.5125	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	107.889	C1	C2	H7	110.965
C1	C2	H8	110.965	C1	S4	H6	96.410
C2	C1	S4	107.889	C2	C1	H9	110.965
C2	C1	H10	110.965	C2	S3	H5	96.410
S3	C2	H7	108.567	S3	C2	H8	108.567
S4	C1	H9	108.567	S4	C1	H10	108.567
H7	C2	H8	109.805	H9	C1	H10	109.805

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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