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	hartrees
Energy at 0K	-874.789736
Energy at 298.15K	-874.796000
HF Energy	-874.239727
Nuclear repulsion energy	202.358688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3138	2946	0.00
2	A_g	2755	2586	0.00
3	A_g	1559	1463	0.00
4	A_g	1414	1327	0.00
5	A_g	1146	1075	0.00
6	A_g	941	883	0.00
7	A_g	774	727	0.00
8	A_g	293	275	0.00
9	A_u	3208	3011	10.36
10	A_u	1183	1110	4.88
11	A_u	811	761	3.20
12	A_u	151	141	26.99
13	A_u	88	83	32.45
14	B_g	3189	2993	0.00
15	B_g	1349	1267	0.00
16	B_g	1028	965	0.00
17	B_g	156	146	0.00
18	B_u	3145	2952	23.50
19	B_u	2755	2586	35.64
20	B_u	1561	1465	6.19
21	B_u	1310	1230	55.08
22	B_u	930	873	6.72
23	B_u	763	716	4.67
24	B_u	209	196	8.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.485	0.588	0.000
C2	-0.485	-0.588	0.000
S3	0.485	-2.140	0.000
S4	-0.485	2.140	0.000
H5	-0.571	-2.972	0.000
H6	0.571	2.972	0.000
H7	-1.119	-0.548	0.888
H8	-1.119	-0.548	-0.888
H9	1.119	0.548	0.888
H10	1.119	0.548	-0.888

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5246	2.7277	1.8295	3.7134	2.3853	2.1570	2.1570	1.0921	1.0921
C2	1.5246		1.8295	2.7277	2.3853	3.7134	1.0921	1.0921	2.1570	2.1570
S3	2.7277	1.8295		4.3876	1.3445	5.1122	2.4277	2.4277	2.9009	2.9009
S4	1.8295	2.7277	4.3876		5.1122	1.3445	2.9009	2.9009	2.4277	2.4277
H5	3.7134	2.3853	1.3445	5.1122		6.0526	2.6390	2.6390	4.0045	4.0045
H6	2.3853	3.7134	5.1122	1.3445	6.0526		4.0045	4.0045	2.6390	2.6390
H7	2.1570	1.0921	2.4277	2.9009	2.6390	4.0045		1.7767	2.4920	3.0605
H8	2.1570	1.0921	2.4277	2.9009	2.6390	4.0045	1.7767		3.0605	2.4920
H9	1.0921	2.1570	2.9009	2.4277	4.0045	2.6390	2.4920	3.0605		1.7767
H10	1.0921	2.1570	2.9009	2.4277	4.0045	2.6390	3.0605	2.4920	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.490	C1	C2	H7	109.938
C1	C2	H8	109.938	C1	S4	H6	96.242
C2	C1	S4	108.490	C2	C1	H9	109.938
C2	C1	H10	109.938	C2	S3	H5	96.242
S3	C2	H7	109.805	S3	C2	H8	109.805
S4	C1	H9	109.805	S4	C1	H10	109.805
H7	C2	H8	108.856	H9	C1	H10	108.856

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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