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	hartrees
Energy at 0K	-2819.513882
Energy at 298.15K	-2819.514192
HF Energy	-2818.996934
Nuclear repulsion energy	978.521738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1031	984	0.00
2	A_1g	377	360	0.00
3	A_1g	209	199	0.00
4	A_1u	80	77	0.00
5	A_2u	622	593	42.37
6	A_2u	337	322	0.66
7	E_g	814	777	0.00
7	E_g	814	777	0.00
8	E_g	320	305	0.00
8	E_g	320	305	0.00
9	E_g	209	200	0.00
9	E_g	209	200	0.00
10	E_u	729	696	148.51
10	E_u	729	696	148.51
11	E_u	254	243	0.50
11	E_u	254	243	0.50
12	E_u	157	149	0.54
12	E_u	157	149	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.767
C2	0.000	0.000	-0.767
Cl3	0.000	1.751	1.429
Cl4	-1.517	-0.876	1.429
Cl5	1.517	-0.876	1.429
Cl6	0.000	-1.751	-1.429
Cl7	-1.517	0.876	-1.429
Cl8	1.517	0.876	-1.429

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5340	1.8721	1.8721	1.8721	2.8085	2.8085	2.8085
C2	1.5340		2.8085	2.8085	2.8085	1.8721	1.8721	1.8721
Cl3	1.8721	2.8085		3.0334	3.0334	4.5202	3.3513	3.3513
Cl4	1.8721	2.8085	3.0334		3.0334	3.3513	3.3513	4.5202
Cl5	1.8721	2.8085	3.0334	3.0334		3.3513	4.5202	3.3513
Cl6	2.8085	1.8721	4.5202	3.3513	3.3513		3.0334	3.0334
Cl7	2.8085	1.8721	3.3513	3.3513	4.5202	3.0334		3.0334
Cl8	2.8085	1.8721	3.3513	4.5202	3.3513	3.0334	3.0334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.697	C1	C2	Cl7	110.697
C1	C2	Cl8	110.697	C2	C1	Cl3	110.697
C2	C1	Cl4	110.697	C2	C1	Cl5	110.697
Cl3	C1	Cl4	108.218	Cl3	C1	Cl5	108.218
Cl4	C1	Cl5	108.218	Cl6	C2	Cl7	108.218
Cl6	C2	Cl8	108.218	Cl7	C2	Cl8	108.218

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)