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	hartrees
Energy at 0K	-874.887327
Energy at 298.15K	-874.893453
HF Energy	-874.298351
Nuclear repulsion energy	202.174901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3073	2942	0.00
2	A_g	2618	2506	0.00
3	A_g	1524	1459	0.00
4	A_g	1394	1334	0.00
5	A_g	1129	1081	0.00
6	A_g	927	887	0.00
7	A_g	760	728	0.00
8	A_g	291	278	0.00
9	A_u	3142	3008	13.53
10	A_u	1175	1125	11.63
11	A_u	801	767	6.31
12	A_u	131	126	9.60
13	A_u	68	65	50.63
14	B_g	3121	2988	0.00
15	B_g	1336	1279	0.00
16	B_g	1014	971	0.00
17	B_g	122	117	0.00
18	B_u	3079	2948	31.10
19	B_u	2618	2506	29.57
20	B_u	1527	1462	5.27
21	B_u	1298	1243	69.52
22	B_u	914	875	5.44
23	B_u	749	717	4.63
24	B_u	207	198	7.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.763	0.000
C2	0.000	-0.763	0.000
S3	1.736	-1.343	0.000
S4	-1.736	1.343	0.000
H5	1.447	-2.662	0.000
H6	-1.447	2.662	0.000
H7	-0.515	-1.135	0.891
H8	-0.515	-1.135	-0.891
H9	0.515	1.135	0.891
H10	0.515	1.135	-0.891

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5258	2.7293	1.8304	3.7182	2.3878	2.1590	2.1590	1.0942	1.0942
C2	1.5258		1.8304	2.7293	2.3878	3.7182	1.0942	1.0942	2.1590	2.1590
S3	2.7293	1.8304		4.3899	1.3502	5.1161	2.4294	2.4294	2.9031	2.9031
S4	1.8304	2.7293	4.3899		5.1161	1.3502	2.9031	2.9031	2.4294	2.4294
H5	3.7182	2.3878	1.3502	5.1161		6.0600	2.6408	2.6408	4.0104	4.0104
H6	2.3878	3.7182	5.1161	1.3502	6.0600		4.0104	4.0104	2.6408	2.6408
H7	2.1590	1.0942	2.4294	2.9031	2.6408	4.0104		1.7819	2.4928	3.0642
H8	2.1590	1.0942	2.4294	2.9031	2.6408	4.0104	1.7819		3.0642	2.4928
H9	1.0942	2.1590	2.9031	2.4294	4.0104	2.6408	2.4928	3.0642		1.7819
H10	1.0942	2.1590	2.9031	2.4294	4.0104	2.6408	3.0642	2.4928	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.480	C1	C2	H7	109.897
C1	C2	H8	109.897	C1	S4	H6	96.132
C2	C1	S4	108.480	C2	C1	H9	109.897
C2	C1	H10	109.897	C2	S3	H5	96.132
S3	C2	H7	109.763	S3	C2	H8	109.763
S4	C1	H9	109.763	S4	C1	H10	109.763
H7	C2	H8	109.031	H9	C1	H10	109.031

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

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

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