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	hartrees
Energy at 0K	-874.848187
Energy at 298.15K	-874.854447
HF Energy	-874.289452
Nuclear repulsion energy	201.763325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3104	2957	0.00
2	A_g	2773	2642	0.00
3	A_g	1491	1420	0.00
4	A_g	1332	1269	0.00
5	A_g	1123	1070	0.00
6	A_g	915	872	0.00
7	A_g	761	725	0.00
8	A_g	287	273	0.00
9	A_u	3186	3035	10.97
10	A_u	1129	1075	5.10
11	A_u	787	750	2.18
12	A_u	161	154	30.85
13	A_u	92	87	20.87
14	B_g	3166	3016	0.00
15	B_g	1300	1238	0.00
16	B_g	978	931	0.00
17	B_g	170	162	0.00
18	B_u	3110	2963	24.43
19	B_u	2774	2642	8.35
20	B_u	1490	1419	4.33
21	B_u	1237	1178	42.70
22	B_u	896	853	2.03
23	B_u	748	713	5.07
24	B_u	203	193	6.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.764	0.000
C2	0.000	-0.764	0.000
S3	1.743	-1.339	0.000
S4	-1.743	1.339	0.000
H5	1.457	-2.657	0.000
H6	-1.457	2.657	0.000
H7	-0.520	-1.140	0.897
H8	-0.520	-1.140	-0.897
H9	0.520	1.140	0.897
H10	0.520	1.140	-0.897

	C1	C2	S3	S4	H5	H6	H7	H8	H9	H10
C1		1.5273	2.7310	1.8353	3.7180	2.3891	2.1672	2.1672	1.1024	1.1024
C2	1.5273		1.8353	2.7310	2.3891	3.7180	1.1024	1.1024	2.1672	2.1672
S3	2.7310	1.8353		4.3955	1.3487	5.1192	2.4417	2.4417	2.9058	2.9058
S4	1.8353	2.7310	4.3955		5.1192	1.3487	2.9058	2.9058	2.4417	2.4417
H5	3.7180	2.3891	1.3487	5.1192		6.0606	2.6482	2.6482	4.0122	4.0122
H6	2.3891	3.7180	5.1192	1.3487	6.0606		4.0122	4.0122	2.6482	2.6482
H7	2.1672	1.1024	2.4417	2.9058	2.6482	4.0122		1.7931	2.5051	3.0807
H8	2.1672	1.1024	2.4417	2.9058	2.6482	4.0122	1.7931		3.0807	2.5051
H9	1.1024	2.1672	2.9058	2.4417	4.0122	2.6482	2.5051	3.0807		1.7931
H10	1.1024	2.1672	2.9058	2.4417	4.0122	2.6482	3.0807	2.5051	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.267	C1	C2	H7	109.947
C1	C2	H8	109.947	C1	S4	H6	96.032
C2	C1	S4	108.267	C2	C1	H9	109.947
C2	C1	H10	109.947	C2	S3	H5	96.032
S3	C2	H7	109.917	S3	C2	H8	109.917
S4	C1	H9	109.917	S4	C1	H10	109.917
H7	C2	H8	108.839	H9	C1	H10	108.839

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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