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	hartrees
Energy at 0K	-875.109194
Energy at 298.15K	-875.115381
HF Energy	-874.298633
Nuclear repulsion energy	203.210751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3108	2944	0.00
2	A_g	2685	2543	0.00
3	A_g	1528	1447	0.00
4	A_g	1391	1317	0.00
5	A_g	1136	1076	0.00
6	A_g	931	882	0.00
7	A_g	771	730	0.00
8	A_g	293	278	0.00
9	A_u	3188	3019	7.56
10	A_u	1181	1119	13.07
11	A_u	810	767	7.29
12	A_u	138	131	14.80
13	A_u	77	72	52.81
14	B_g	3168	3000	0.00
15	B_g	1341	1270	0.00
16	B_g	1020	966	0.00
17	B_g	129	123	0.00
18	B_u	3116	2952	24.73
19	B_u	2685	2543	15.92
20	B_u	1531	1450	5.83
21	B_u	1300	1231	66.92
22	B_u	915	866	4.59
23	B_u	762	721	3.72
24	B_u	209	198	8.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.760	0.000
C2	0.000	-0.760	0.000
S3	1.731	-1.327	0.000
S4	-1.731	1.327	0.000
H5	1.455	-2.643	0.000
H6	-1.455	2.643	0.000
H7	-0.513	-1.130	0.889
H8	-0.513	-1.130	-0.889
H9	0.513	1.130	0.889
H10	0.513	1.130	-0.889

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5200	2.7116	1.8214	3.7010	2.3797	2.1508	2.1508	1.0913	1.0913
C2	1.5200		1.8214	2.7116	2.3797	3.7010	1.0913	1.0913	2.1508	2.1508
S3	2.7116	1.8214		4.3624	1.3441	5.0905	2.4218	2.4218	2.8830	2.8830
S4	1.8214	2.7116	4.3624		5.0905	1.3441	2.8830	2.8830	2.4218	2.4218
H5	3.7010	2.3797	1.3441	5.0905		6.0341	2.6372	2.6372	3.9890	3.9890
H6	2.3797	3.7010	5.0905	1.3441	6.0341		3.9890	3.9890	2.6372	2.6372
H7	2.1508	1.0913	2.4218	2.8830	2.6372	3.9890		1.7786	2.4818	3.0533
H8	2.1508	1.0913	2.4218	2.8830	2.6372	3.9890	1.7786		3.0533	2.4818
H9	1.0913	2.1508	2.8830	2.4218	3.9890	2.6372	2.4818	3.0533		1.7786
H10	1.0913	2.1508	2.8830	2.4218	3.9890	2.6372	3.0533	2.4818	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.146	C1	C2	H7	109.810
C1	C2	H8	109.810	C1	S4	H6	96.316
C2	C1	S4	108.146	C2	C1	H9	109.810
C2	C1	H10	109.810	C2	S3	H5	96.316
S3	C2	H7	109.952	S3	C2	H8	109.952
S4	C1	H9	109.952	S4	C1	H10	109.952
H7	C2	H8	109.159	H9	C1	H10	109.159

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

using model chemistry: MP2=FULL/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=FULL/6-311G*

States and conformations

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