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	hartrees
Energy at 0K	-2834.249259
Energy at 298.15K
HF Energy	-2832.765454
Nuclear repulsion energy	1025.126264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	994	946	0.00	2.83	0.41	0.58
2	A_1g	446	424	0.00	18.54	0.03	0.06
3	A_1g	226	215	0.00	0.93	0.54	0.70
4	A_1u	88	84	0.00	0.00	0.00	0.00
5	A_2u	697	664	44.17	0.00	0.00	0.00
6	A_2u	386	367	0.67	0.00	0.00	0.00
7	E_g	878	836	0.00	9.52	0.75	0.86
7	E_g	878	836	0.00	9.52	0.75	0.86
8	E_g	348	332	0.00	5.76	0.75	0.86
8	E_g	348	332	0.00	5.76	0.75	0.86
9	E_g	227	216	0.00	3.06	0.75	0.86
9	E_g	227	216	0.00	3.06	0.75	0.86
10	E_u	815	776	182.44	0.00	0.31	0.00
10	E_u	815	776	182.44	0.00	0.00	0.00
11	E_u	282	268	0.00	0.00	0.00	0.00
11	E_u	282	268	0.00	0.00	0.00	0.00
12	E_u	168	159	0.10	0.00	0.00	0.00
12	E_u	168	159	0.10	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
C2	0.000	0.000	-0.788
Cl3	0.000	1.662	1.376
Cl4	-1.439	-0.831	1.376
Cl5	1.439	-0.831	1.376
Cl6	0.000	-1.662	-1.376
Cl7	-1.439	0.831	-1.376
Cl8	1.439	0.831	-1.376

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5759	1.7626	1.7626	1.7626	2.7283	2.7283	2.7283
C2	1.5759		2.7283	2.7283	2.7283	1.7626	1.7626	1.7626
Cl3	1.7626	2.7283		2.8780	2.8780	4.3148	3.2147	3.2147
Cl4	1.7626	2.7283	2.8780		2.8780	3.2147	3.2147	4.3148
Cl5	1.7626	2.7283	2.8780	2.8780		3.2147	4.3148	3.2147
Cl6	2.7283	1.7626	4.3148	3.2147	3.2147		2.8780	2.8780
Cl7	2.7283	1.7626	3.2147	3.2147	4.3148	2.8780		2.8780
Cl8	2.7283	1.7626	3.2147	4.3148	3.2147	2.8780	2.8780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.489	C1	C2	Cl7	109.489
C1	C2	Cl8	109.489	C2	C1	Cl3	109.489
C2	C1	Cl4	109.489	C2	C1	Cl5	109.489
Cl3	C1	Cl4	109.453	Cl3	C1	Cl5	109.453
Cl4	C1	Cl5	109.453	Cl6	C2	Cl7	109.453
Cl6	C2	Cl8	109.453	Cl7	C2	Cl8	109.453

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)