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	hartrees
Energy at 0K	-874.830136
Energy at 298.15K	-874.836375
HF Energy	-874.254002
Nuclear repulsion energy	203.470356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	2951	0.00
2	A_g	2840	2654	0.00
3	A_g	1554	1452	0.00
4	A_g	1403	1311	0.00
5	A_g	1148	1073	0.00
6	A_g	945	883	0.00
7	A_g	781	730	0.00
8	A_g	294	274	0.00
9	A_u	3240	3027	9.71
10	A_u	1181	1104	4.95
11	A_u	809	756	2.57
12	A_u	145	136	18.05
13	A_u	79	74	38.77
14	B_g	3221	3010	0.00
15	B_g	1348	1260	0.00
16	B_g	1024	957	0.00
17	B_g	146	136	0.00
18	B_u	3166	2958	23.49
19	B_u	2840	2654	18.98
20	B_u	1555	1453	5.53
21	B_u	1303	1217	59.11
22	B_u	933	872	6.93
23	B_u	769	718	3.88
24	B_u	208	194	8.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.759	0.000
C2	0.000	-0.759	0.000
S3	1.728	-1.333	0.000
S4	-1.728	1.333	0.000
H5	1.447	-2.633	0.000
H6	-1.447	2.633	0.000
H7	-0.514	-1.128	0.884
H8	-0.514	-1.128	-0.884
H9	0.514	1.128	0.884
H10	0.514	1.128	-0.884

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5175	2.7128	1.8206	3.6875	2.3678	2.1464	2.1464	1.0875	1.0875
C2	1.5175		1.8206	2.7128	2.3678	3.6875	1.0875	1.0875	2.1464	2.1464
S3	2.7128	1.8206		4.3639	1.3303	5.0798	2.4185	2.4185	2.8829	2.8829
S4	1.8206	2.7128	4.3639		5.0798	1.3303	2.8829	2.8829	2.4185	2.4185
H5	3.6875	2.3678	1.3303	5.0798		6.0087	2.6251	2.6251	3.9748	3.9748
H6	2.3678	3.6875	5.0798	1.3303	6.0087		3.9748	3.9748	2.6251	2.6251
H7	2.1464	1.0875	2.4185	2.8829	2.6251	3.9748		1.7687	2.4796	3.0458
H8	2.1464	1.0875	2.4185	2.8829	2.6251	3.9748	1.7687		3.0458	2.4796
H9	1.0875	2.1464	2.8829	2.4185	3.9748	2.6251	2.4796	3.0458		1.7687
H10	1.0875	2.1464	2.8829	2.4185	3.9748	2.6251	3.0458	2.4796	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.373	C1	C2	H7	109.861
C1	C2	H8	109.861	C1	S4	H6	96.188
C2	C1	S4	108.373	C2	C1	H9	109.861
C2	C1	H10	109.861	C2	S3	H5	96.188
S3	C2	H7	109.962	S3	C2	H8	109.962
S4	C1	H9	109.962	S4	C1	H10	109.962
H7	C2	H8	108.814	H9	C1	H10	108.814

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

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

States and conformations

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