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	hartrees
Energy at 0K	-874.838225
Energy at 298.15K	-874.845015
Nuclear repulsion energy	203.336613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3147	2956	0.00
2	A_g	2834	2661	0.00
3	A_g	1538	1444	0.00
4	A_g	1399	1314	0.00
5	A_g	1144	1074	0.00
6	A_g	939	882	0.00
7	A_g	776	729	0.00
8	A_g	293	275	0.00
9	A_u	3230	3033	4.81
10	A_u	1150	1080	7.05
11	A_u	808	759	2.32
12	A_u	122	115	2.56
13	B_g	3210	3015	0.00
14	B_g	1325	1244	0.00
15	B_g	1017	956	0.00
16	B_g	39	36	0.00
17	B_u	3155	2963	23.11
18	B_u	2834	2662	15.51
19	B_u	1538	1444	5.48
20	B_u	1300	1221	65.23
21	B_u	928	872	6.38
22	B_u	763	717	3.78
23	B_u	207	194	8.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.759	0.000
C2	0.000	-0.759	0.000
S3	1.729	-1.333	0.000
S4	-1.729	1.333	0.000
H5	1.448	-2.634	0.000
H6	-1.448	2.634	0.000
H7	-0.513	-1.128	0.886
H8	-0.513	-1.128	-0.886
H9	0.513	1.128	0.886
H10	0.513	1.128	-0.886

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5180	2.7145	1.8222	3.6890	2.3689	2.1470	2.1470	1.0881	1.0881
C2	1.5180		1.8222	2.7145	2.3689	3.6890	1.0881	1.0881	2.1470	2.1470
S3	2.7145	1.8222		4.3673	1.3308	5.0827	2.4195	2.4195	2.8851	2.8851
S4	1.8222	2.7145	4.3673		5.0827	1.3308	2.8851	2.8851	2.4195	2.4195
H5	3.6890	2.3689	1.3308	5.0827		6.0113	2.6260	2.6260	3.9766	3.9766
H6	2.3689	3.6890	5.0827	1.3308	6.0113		3.9766	3.9766	2.6260	2.6260
H7	2.1470	1.0881	2.4195	2.8851	2.6260	3.9766		1.7717	2.4787	3.0467
H8	2.1470	1.0881	2.4195	2.8851	2.6260	3.9766	1.7717		3.0467	2.4787
H9	1.0881	2.1470	2.8851	2.4195	3.9766	2.6260	2.4787	3.0467		1.7717
H10	1.0881	2.1470	2.8851	2.4195	3.9766	2.6260	3.0467	2.4787	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.371	C1	C2	H7	109.838
C1	C2	H8	109.838	C1	S4	H6	96.161
C2	C1	S4	108.371	C2	C1	H9	109.838
C2	C1	H10	109.838	C2	S3	H5	96.161
S3	C2	H7	109.894	S3	C2	H8	109.894
S4	C1	H9	109.894	S4	C1	H10	109.894
H7	C2	H8	108.997	H9	C1	H10	108.997

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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