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	hartrees
Energy at 0K	-874.434289
Energy at 298.15K	-874.440231
HF Energy	-874.133597
Nuclear repulsion energy	196.038504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3078	2971	0.00
2	A_g	2510	2423	0.00
3	A_g	1518	1465	0.00
4	A_g	1380	1332	0.00
5	A_g	1103	1064	0.00
6	A_g	861	831	0.00
7	A_g	707	682	0.00
8	A_g	271	261	0.00
9	A_u	3171	3061	30.81
10	A_u	1155	1115	2.21
11	A_u	821	792	6.18
12	A_u	126	122	18.90
13	A_u	68	65	54.19
14	B_g	3151	3042	0.00
15	B_g	1331	1285	0.00
16	B_g	999	964	0.00
17	B_g	107	103	0.00
18	B_u	3086	2978	35.37
19	B_u	2511	2424	60.30
20	B_u	1513	1460	4.55
21	B_u	1312	1266	53.54
22	B_u	865	835	5.16
23	B_u	664	641	7.11
24	B_u	197	190	9.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.773	0.000
C2	0.000	-0.773	0.000
S3	1.824	-1.358	0.000
S4	-1.824	1.358	0.000
H5	1.555	-2.704	0.000
H6	-1.555	2.704	0.000
H7	-0.496	-1.164	0.902
H8	-0.496	-1.164	-0.902
H9	0.496	1.164	0.902
H10	0.496	1.164	-0.902

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5464	2.8057	1.9160	3.8091	2.4791	2.1941	2.1941	1.1014	1.1014
C2	1.5464		1.9160	2.8057	2.4791	3.8091	1.1014	1.1014	2.1941	2.1941
S3	2.8057	1.9160		4.5491	1.3726	5.2843	2.4974	2.4974	2.9903	2.9903
S4	1.9160	2.8057	4.5491		5.2843	1.3726	2.9903	2.9903	2.4974	2.4974
H5	3.8091	2.4791	1.3726	5.2843		6.2386	2.7188	2.7188	4.1109	4.1109
H6	2.4791	3.8091	5.2843	1.3726	6.2386		4.1109	4.1109	2.7188	2.7188
H7	2.1941	1.1014	2.4974	2.9903	2.7188	4.1109		1.8042	2.5314	3.1086
H8	2.1941	1.1014	2.4974	2.9903	2.7188	4.1109	1.8042		3.1086	2.5314
H9	1.1014	2.1941	2.9903	2.4974	4.1109	2.7188	2.5314	3.1086		1.8042
H10	1.1014	2.1941	2.9903	2.4974	4.1109	2.7188	3.1086	2.5314	1.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	107.782	C1	C2	H7	110.802
C1	C2	H8	110.802	C1	S4	H6	96.453
C2	C1	S4	107.782	C2	C1	H9	110.802
C2	C1	H10	110.802	C2	S3	H5	96.453
S3	C2	H7	108.699	S3	C2	H8	108.699
S4	C1	H9	108.699	S4	C1	H10	108.699
H7	C2	H8	109.980	H9	C1	H10	109.980

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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