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	hartrees
Energy at 0K	-2832.789305
Energy at 298.15K	-2832.789955
HF Energy	-2832.370655
Nuclear repulsion energy	986.182455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1084	1017	0.00
2	A_1g	412	386	0.00
3	A_1g	224	210	0.00
4	A_1u	86	80	0.00
5	A_2u	670	628	47.09
6	A_2u	365	343	1.22
7	E_g	860	807	0.00
7	E_g	860	807	0.00
8	E_g	339	318	0.00
8	E_g	339	318	0.00
9	E_g	223	209	0.00
9	E_g	223	209	0.00
10	E_u	766	719	145.38
10	E_u	766	719	145.38
11	E_u	276	259	0.67
11	E_u	276	259	0.67
12	E_u	166	155	0.52
12	E_u	166	155	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.774
C2	0.000	0.000	-0.774
Cl3	0.000	1.730	1.429
Cl4	-1.498	-0.865	1.429
Cl5	1.498	-0.865	1.429
Cl6	0.000	-1.730	-1.429
Cl7	-1.498	0.865	-1.429
Cl8	1.498	0.865	-1.429

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5470	1.8498	1.8498	1.8498	2.8008	2.8008	2.8008
C2	1.5470		2.8008	2.8008	2.8008	1.8498	1.8498	1.8498
Cl3	1.8498	2.8008		2.9957	2.9957	4.4876	3.3414	3.3414
Cl4	1.8498	2.8008	2.9957		2.9957	3.3414	3.3414	4.4876
Cl5	1.8498	2.8008	2.9957	2.9957		3.3414	4.4876	3.3414
Cl6	2.8008	1.8498	4.4876	3.3414	3.3414		2.9957	2.9957
Cl7	2.8008	1.8498	3.3414	3.3414	4.4876	2.9957		2.9957
Cl8	2.8008	1.8498	3.3414	4.4876	3.3414	2.9957	2.9957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.770	C1	C2	Cl7	110.770
C1	C2	Cl8	110.770	C2	C1	Cl3	110.770
C2	C1	Cl4	110.770	C2	C1	Cl5	110.770
Cl3	C1	Cl4	108.142	Cl3	C1	Cl5	108.142
Cl4	C1	Cl5	108.142	Cl6	C2	Cl7	108.142
Cl6	C2	Cl8	108.142	Cl7	C2	Cl8	108.142

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)