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	hartrees
Energy at 0K	-34.824871
Energy at 298.15K	-34.831026
HF Energy	-34.333183
Nuclear repulsion energy	65.530131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3120	2962	0.00
2	A_g	2753	2614	0.00
3	A_g	1520	1443	0.00
4	A_g	1377	1307	0.00
5	A_g	1133	1075	0.00
6	A_g	923	876	0.00
7	A_g	765	726	0.00
8	A_g	287	272	0.00
9	A_u	3210	3048	26.61
10	A_u	1153	1094	6.04
11	A_u	803	762	5.14
12	A_u	152	144	30.21
13	A_u	69	65	46.17
14	B_g	3192	3031	0.00
15	B_g	1324	1257	0.00
16	B_g	996	945	0.00
17	B_g	142	135	0.00
18	B_u	3126	2968	39.47
19	B_u	2754	2614	23.52
20	B_u	1518	1441	5.59
21	B_u	1274	1209	66.41
22	B_u	911	865	4.49
23	B_u	754	716	7.41
24	B_u	204	194	8.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.771	0.000
C2	0.000	-0.771	0.000
S3	1.756	-1.335	0.000
S4	-1.756	1.335	0.000
H5	1.483	-2.661	0.000
H6	-1.483	2.661	0.000
H7	-0.512	-1.148	0.901
H8	-0.512	-1.148	-0.901
H9	0.512	1.148	0.901
H10	0.512	1.148	-0.901

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5411	2.7417	1.8443	3.7383	2.4027	2.1804	2.1804	1.1025	1.1025
C2	1.5411		1.8443	2.7417	2.4027	3.7383	1.1025	1.1025	2.1804	2.1804
S3	2.7417	1.8443		4.4115	1.3536	5.1438	2.4471	2.4471	2.9197	2.9197
S4	1.8443	2.7417	4.4115		5.1438	1.3536	2.9197	2.9197	2.4471	2.4471
H5	3.7383	2.4027	1.3536	5.1438		6.0927	2.6608	2.6608	4.0327	4.0327
H6	2.4027	3.7383	5.1438	1.3536	6.0927		4.0327	4.0327	2.6608	2.6608
H7	2.1804	1.1025	2.4471	2.9197	2.6608	4.0327		1.8012	2.5140	3.0926
H8	2.1804	1.1025	2.4471	2.9197	2.6608	4.0327	1.8012		3.0926	2.5140
H9	1.1025	2.1804	2.9197	2.4471	4.0327	2.6608	2.5140	3.0926		1.8012
H10	1.1025	2.1804	2.9197	2.4471	4.0327	2.6608	3.0926	2.5140	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	107.827	C1	C2	H7	110.021
C1	C2	H8	110.021	C1	S4	H6	96.202
C2	C1	S4	107.827	C2	C1	H9	110.021
C2	C1	H10	110.021	C2	S3	H5	96.202
S3	C2	H7	109.706	S3	C2	H8	109.706
S4	C1	H9	109.706	S4	C1	H10	109.706
H7	C2	H8	109.538	H9	C1	H10	109.538

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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