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	hartrees
Energy at 0K	-874.800002
Energy at 298.15K	-874.806248
HF Energy	-874.239404
Nuclear repulsion energy	202.039466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3100	2952	0.00
2	A_g	2715	2586	0.00
3	A_g	1548	1474	0.00
4	A_g	1402	1335	0.00
5	A_g	1137	1083	0.00
6	A_g	934	890	0.00
7	A_g	767	730	0.00
8	A_g	291	277	0.00
9	A_u	3168	3017	13.26
10	A_u	1174	1118	4.65
11	A_u	805	767	2.95
12	A_u	151	144	26.42
13	A_u	89	85	30.24
14	B_g	3148	2998	0.00
15	B_g	1340	1276	0.00
16	B_g	1020	972	0.00
17	B_g	157	149	0.00
18	B_u	3106	2958	27.59
19	B_u	2716	2586	45.95
20	B_u	1549	1476	5.95
21	B_u	1301	1239	55.77
22	B_u	925	881	6.78
23	B_u	753	717	4.73
24	B_u	208	198	8.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.763	0.000
C2	0.000	-0.763	0.000
S3	1.737	-1.345	0.000
S4	-1.737	1.345	0.000
H5	1.451	-2.662	0.000
H6	-1.451	2.662	0.000
H7	-0.516	-1.137	0.890
H8	-0.516	-1.137	-0.890
H9	0.516	1.137	0.890
H10	0.516	1.137	-0.890

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5257	2.7315	1.8322	3.7194	2.3899	2.1606	2.1606	1.0949	1.0949
C2	1.5257		1.8322	2.7315	2.3899	3.7194	1.0949	1.0949	2.1606	2.1606
S3	2.7315	1.8322		4.3941	1.3478	5.1205	2.4319	2.4319	2.9057	2.9057
S4	1.8322	2.7315	4.3941		5.1205	1.3478	2.9057	2.9057	2.4319	2.4319
H5	3.7194	2.3899	1.3478	5.1205		6.0633	2.6433	2.6433	4.0122	4.0122
H6	2.3899	3.7194	5.1205	1.3478	6.0633		4.0122	4.0122	2.6433	2.6433
H7	2.1606	1.0949	2.4319	2.9057	2.6433	4.0122		1.7803	2.4974	3.0670
H8	2.1606	1.0949	2.4319	2.9057	2.6433	4.0122	1.7803		3.0670	2.4974
H9	1.0949	2.1606	2.9057	2.4319	4.0122	2.6433	2.4974	3.0670		1.7803
H10	1.0949	2.1606	2.9057	2.4319	4.0122	2.6433	3.0670	2.4974	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.520	C1	C2	H7	109.982
C1	C2	H8	109.982	C1	S4	H6	96.253
C2	C1	S4	108.520	C2	C1	H9	109.982
C2	C1	H10	109.982	C2	S3	H5	96.253
S3	C2	H7	109.785	S3	C2	H8	109.785
S4	C1	H9	109.785	S4	C1	H10	109.785
H7	C2	H8	108.780	H9	C1	H10	108.780

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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