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	hartrees
Energy at 0K	-2833.986086
Energy at 298.15K
HF Energy	-2832.590565
Nuclear repulsion energy	1024.292678

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	1011	955	0.00	2.22	0.28	0.44
2	A_1g	450	425	0.00	19.17	0.03	0.06
3	A_1g	228	215	0.00	1.04	0.56	0.72
4	A_1u	90	85	0.00	0.00	0.00	0.00
5	A_2u	704	665	46.52	0.00	0.00	0.00
6	A_2u	389	367	0.86	0.00	0.00	0.00
7	E_g	894	845	0.00	7.52	0.75	0.86
7	E_g	894	845	0.00	7.52	0.75	0.86
8	E_g	353	333	0.00	5.30	0.75	0.86
8	E_g	353	333	0.00	5.30	0.75	0.86
9	E_g	230	217	0.00	2.78	0.75	0.86
9	E_g	230	217	0.00	2.78	0.75	0.86
10	E_u	831	785	188.55	0.00	0.00	0.00
10	E_u	831	785	188.55	0.00	0.00	0.00
11	E_u	284	268	0.01	0.00	0.00	0.00
11	E_u	284	268	0.01	0.00	0.00	0.00
12	E_u	169	160	0.11	0.00	0.00	0.00
12	E_u	169	160	0.11	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.789
C2	0.000	0.000	-0.789
Cl3	0.000	1.663	1.377
Cl4	-1.440	-0.832	1.377
Cl5	1.440	-0.832	1.377
Cl6	0.000	-1.663	-1.377
Cl7	-1.440	0.832	-1.377
Cl8	1.440	0.832	-1.377

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5773	1.7641	1.7641	1.7641	2.7304	2.7304	2.7304
C2	1.5773		2.7304	2.7304	2.7304	1.7641	1.7641	1.7641
Cl3	1.7641	2.7304		2.8807	2.8807	4.3182	3.2168	3.2168
Cl4	1.7641	2.7304	2.8807		2.8807	3.2168	3.2168	4.3182
Cl5	1.7641	2.7304	2.8807	2.8807		3.2168	4.3182	3.2168
Cl6	2.7304	1.7641	4.3182	3.2168	3.2168		2.8807	2.8807
Cl7	2.7304	1.7641	3.2168	3.2168	4.3182	2.8807		2.8807
Cl8	2.7304	1.7641	3.2168	4.3182	3.2168	2.8807	2.8807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.473	C1	C2	Cl7	109.473
C1	C2	Cl8	109.473	C2	C1	Cl3	109.473
C2	C1	Cl4	109.473	C2	C1	Cl5	109.473
Cl3	C1	Cl4	109.469	Cl3	C1	Cl5	109.469
Cl4	C1	Cl5	109.469	Cl6	C2	Cl7	109.469
Cl6	C2	Cl8	109.469	Cl7	C2	Cl8	109.469

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)