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	hartrees
Energy at 0K	-874.831225
Energy at 298.15K	-874.837349
HF Energy	-874.298654
Nuclear repulsion energy	203.062577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3106	2951	0.00
2	A_g	2690	2557	0.00
3	A_g	1527	1451	0.00
4	A_g	1390	1321	0.00
5	A_g	1134	1078	0.00
6	A_g	929	883	0.00
7	A_g	770	732	0.00
8	A_g	293	278	0.00
9	A_u	3185	3027	7.86
10	A_u	1180	1121	12.99
11	A_u	809	768	7.14
12	A_u	133	126	8.97
13	A_u	62	59	58.83
14	B_g	3165	3008	0.00
15	B_g	1339	1272	0.00
16	B_g	1019	968	0.00
17	B_g	117	111	0.00
18	B_u	3114	2959	25.11
19	B_u	2691	2557	15.78
20	B_u	1530	1454	5.74
21	B_u	1299	1234	67.70
22	B_u	913	868	4.57
23	B_u	761	723	3.92
24	B_u	208	198	8.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.487	0.581	0.000
C2	-0.487	-0.581	0.000
S3	0.487	-2.126	0.000
S4	-0.487	2.126	0.000
H5	-0.573	-2.951	0.000
H6	0.573	2.951	0.000
H7	-1.116	-0.544	0.891
H8	-1.116	-0.544	-0.891
H9	1.116	0.544	0.891
H10	1.116	0.544	-0.891

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5168	2.7076	1.8267	3.6878	2.3711	2.1517	2.1517	1.0913	1.0913
C2	1.5168		1.8267	2.7076	2.3711	3.6878	1.0913	1.0913	2.1517	2.1517
S3	2.7076	1.8267		4.3630	1.3432	5.0779	2.4225	2.4225	2.8844	2.8844
S4	1.8267	2.7076	4.3630		5.0779	1.3432	2.8844	2.8844	2.4225	2.4225
H5	3.6878	2.3711	1.3432	5.0779		6.0119	2.6233	2.6233	3.9825	3.9825
H6	2.3711	3.6878	5.0779	1.3432	6.0119		3.9825	3.9825	2.6233	2.6233
H7	2.1517	1.0913	2.4225	2.8844	2.6233	3.9825		1.7824	2.4827	3.0563
H8	2.1517	1.0913	2.4225	2.8844	2.6233	3.9825	1.7824		3.0563	2.4827
H9	1.0913	2.1517	2.8844	2.4225	3.9825	2.6233	2.4827	3.0563		1.7824
H10	1.0913	2.1517	2.8844	2.4225	3.9825	2.6233	3.0563	2.4827	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	107.798	C1	C2	H7	110.110
C1	C2	H8	110.110	C1	S4	H6	95.626
C2	C1	S4	107.798	C2	C1	H9	110.110
C2	C1	H10	110.110	C2	S3	H5	95.626
S3	C2	H7	109.650	S3	C2	H8	109.650
S4	C1	H9	109.650	S4	C1	H10	109.650
H7	C2	H8	109.500	H9	C1	H10	109.500

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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