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	hartrees
Energy at 0K	-874.891939
Energy at 298.15K	-874.898085
HF Energy	-874.315318
Nuclear repulsion energy	203.132153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3105	2950	0.00
2	A_g	2799	2660	0.00
3	A_g	1510	1434	0.00
4	A_g	1377	1309	0.00
5	A_g	1133	1077	0.00
6	A_g	933	887	0.00
7	A_g	777	738	0.00
8	A_g	293	279	0.00
9	A_u	3183	3025	8.45
10	A_u	1168	1109	11.45
11	A_u	810	770	5.16
12	A_u	134	128	10.48
13	A_u	62	59	45.19
14	B_g	3163	3005	0.00
15	B_g	1324	1258	0.00
16	B_g	1012	961	0.00
17	B_g	118	112	0.00
18	B_u	3113	2958	25.33
19	B_u	2799	2660	7.60
20	B_u	1510	1435	4.42
21	B_u	1288	1223	72.92
22	B_u	924	878	5.33
23	B_u	763	725	3.73
24	B_u	208	197	6.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.485	0.587	0.000
C2	-0.485	-0.587	0.000
S3	0.485	-2.129	0.000
S4	-0.485	2.129	0.000
H5	-0.565	-2.955	0.000
H6	0.565	2.955	0.000
H7	-1.116	-0.544	0.890
H8	-1.116	-0.544	-0.890
H9	1.116	0.544	0.890
H10	1.116	0.544	-0.890

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5229	2.7159	1.8221	3.6941	2.3694	2.1530	2.1530	1.0921	1.0921
C2	1.5229		1.8221	2.7159	2.3694	3.6941	1.0921	1.0921	2.1530	2.1530
S3	2.7159	1.8221		4.3673	1.3357	5.0846	2.4231	2.4231	2.8868	2.8868
S4	1.8221	2.7159	4.3673		5.0846	1.3357	2.8868	2.8868	2.4231	2.4231
H5	3.6941	2.3694	1.3357	5.0846		6.0167	2.6290	2.6290	3.9821	3.9821
H6	2.3694	3.6941	5.0846	1.3357	6.0167		3.9821	3.9821	2.6290	2.6290
H7	2.1530	1.0921	2.4231	2.8868	2.6290	3.9821		1.7805	2.4833	3.0556
H8	2.1530	1.0921	2.4231	2.8868	2.6290	3.9821	1.7805		3.0556	2.4833
H9	1.0921	2.1530	2.8868	2.4231	3.9821	2.6290	2.4833	3.0556		1.7805
H10	1.0921	2.1530	2.8868	2.4231	3.9821	2.6290	3.0556	2.4833	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.237	C1	C2	H7	109.737
C1	C2	H8	109.737	C1	S4	H6	96.011
C2	C1	S4	108.237	C2	C1	H9	109.737
C2	C1	H10	109.737	C2	S3	H5	96.011
S3	C2	H7	109.958	S3	C2	H8	109.958
S4	C1	H9	109.958	S4	C1	H10	109.958
H7	C2	H8	109.201	H9	C1	H10	109.201

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)