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	hartrees
Energy at 0K	-2834.354147
Energy at 298.15K
HF Energy	-2832.808509
Nuclear repulsion energy	1019.847656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1041	983	0.00
2	A_1g	447	422	0.00
3	A_1g	227	215	0.00
4	A_1u	87	83	0.00
5	A_2u	713	674	49.13
6	A_2u	387	366	0.99
7	E_g	908	858	0.00
7	E_g	908	858	0.00
8	E_g	352	332	0.00
8	E_g	352	332	0.00
9	E_g	230	217	0.00
9	E_g	230	217	0.00
10	E_u	827	781	172.07
10	E_u	827	781	172.07
11	E_u	285	269	0.01
11	E_u	285	269	0.01
12	E_u	169	159	0.09
12	E_u	169	159	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
C2	0.000	0.000	-0.788
Cl3	0.000	1.666	1.390
Cl4	-1.443	-0.833	1.390
Cl5	1.443	-0.833	1.390
Cl6	0.000	-1.666	-1.390
Cl7	-1.443	0.833	-1.390
Cl8	1.443	0.833	-1.390

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5769	1.7714	1.7714	1.7714	2.7423	2.7423	2.7423
C2	1.5769		2.7423	2.7423	2.7423	1.7714	1.7714	1.7714
Cl3	1.7714	2.7423		2.8860	2.8860	4.3393	3.2404	3.2404
Cl4	1.7714	2.7423	2.8860		2.8860	3.2404	3.2404	4.3393
Cl5	1.7714	2.7423	2.8860	2.8860		3.2404	4.3393	3.2404
Cl6	2.7423	1.7714	4.3393	3.2404	3.2404		2.8860	2.8860
Cl7	2.7423	1.7714	3.2404	3.2404	4.3393	2.8860		2.8860
Cl8	2.7423	1.7714	3.2404	4.3393	3.2404	2.8860	2.8860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.838	C1	C2	Cl7	109.838
C1	C2	Cl8	109.838	C2	C1	Cl3	109.838
C2	C1	Cl4	109.838	C2	C1	Cl5	109.838
Cl3	C1	Cl4	109.102	Cl3	C1	Cl5	109.102
Cl4	C1	Cl5	109.102	Cl6	C2	Cl7	109.102
Cl6	C2	Cl8	109.102	Cl7	C2	Cl8	109.102

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP3/cc-pVTZ

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 C2Cl6 (hexachloroethane)

using model chemistry: MP3/cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)