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	hartrees
Energy at 0K	-2832.857466
Energy at 298.15K	-2832.857852
HF Energy	-2832.368156
Nuclear repulsion energy	978.193372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1039	987	0.00
2	A_1g	388	369	0.00
3	A_1g	215	204	0.00
4	A_1u	82	78	0.00
5	A_2u	635	603	46.70
6	A_2u	349	332	0.72
7	E_g	810	770	0.00
7	E_g	810	770	0.00
8	E_g	325	309	0.00
8	E_g	325	309	0.00
9	E_g	214	203	0.00
9	E_g	214	203	0.00
10	E_u	718	682	152.13
10	E_u	718	682	152.13
11	E_u	265	252	0.39
11	E_u	265	252	0.39
12	E_u	159	151	0.54
12	E_u	159	151	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.775
C2	0.000	0.000	-0.775
Cl3	0.000	1.745	1.439
Cl4	-1.512	-0.873	1.439
Cl5	1.512	-0.873	1.439
Cl6	0.000	-1.745	-1.439
Cl7	-1.512	0.873	-1.439
Cl8	1.512	0.873	-1.439

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5505	1.8673	1.8673	1.8673	2.8192	2.8192	2.8192
C2	1.5505		2.8192	2.8192	2.8192	1.8673	1.8673	1.8673
Cl3	1.8673	2.8192		3.0233	3.0233	4.5238	3.3652	3.3652
Cl4	1.8673	2.8192	3.0233		3.0233	3.3652	3.3652	4.5238
Cl5	1.8673	2.8192	3.0233	3.0233		3.3652	4.5238	3.3652
Cl6	2.8192	1.8673	4.5238	3.3652	3.3652		3.0233	3.0233
Cl7	2.8192	1.8673	3.3652	3.3652	4.5238	3.0233		3.0233
Cl8	2.8192	1.8673	3.3652	4.5238	3.3652	3.0233	3.0233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.808	C1	C2	Cl7	110.808
C1	C2	Cl8	110.808	C2	C1	Cl3	110.808
C2	C1	Cl4	110.808	C2	C1	Cl5	110.808
Cl3	C1	Cl4	108.102	Cl3	C1	Cl5	108.102
Cl4	C1	Cl5	108.102	Cl6	C2	Cl7	108.102
Cl6	C2	Cl8	108.102	Cl7	C2	Cl8	108.102

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)