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	hartrees
Energy at 0K	-2833.910898
Energy at 298.15K
HF Energy	-2832.716811
Nuclear repulsion energy	1018.337737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1035	1035	0.00
2	A_1g	449	449	0.00
3	A_1g	237	237	0.00
4	A_1u	94	94	0.00
5	A_2u	712	712	52.28
6	A_2u	396	396	0.56
7	E_g	920	920	0.00
7	E_g	920	920	0.00
8	E_g	359	359	0.00
8	E_g	359	359	0.00
9	E_g	239	239	0.00
9	E_g	239	239	0.00
10	E_u	830	830	187.38
10	E_u	830	830	187.38
11	E_u	298	298	0.02
11	E_u	298	298	0.02
12	E_u	177	177	0.24
12	E_u	177	177	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.790
C2	0.000	0.000	-0.790
Cl3	0.000	1.670	1.390
Cl4	-1.446	-0.835	1.390
Cl5	1.446	-0.835	1.390
Cl6	0.000	-1.670	-1.390
Cl7	-1.446	0.835	-1.390
Cl8	1.446	0.835	-1.390

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5791	1.7744	1.7744	1.7744	2.7458	2.7458	2.7458
C2	1.5791		2.7458	2.7458	2.7458	1.7744	1.7744	1.7744
Cl3	1.7744	2.7458		2.8918	2.8918	4.3453	3.2434	3.2434
Cl4	1.7744	2.7458	2.8918		2.8918	3.2434	3.2434	4.3453
Cl5	1.7744	2.7458	2.8918	2.8918		3.2434	4.3453	3.2434
Cl6	2.7458	1.7744	4.3453	3.2434	3.2434		2.8918	2.8918
Cl7	2.7458	1.7744	3.2434	3.2434	4.3453	2.8918		2.8918
Cl8	2.7458	1.7744	3.2434	4.3453	3.2434	2.8918	2.8918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.791	C1	C2	Cl7	109.791
C1	C2	Cl8	109.791	C2	C1	Cl3	109.791
C2	C1	Cl4	109.791	C2	C1	Cl5	109.791
Cl3	C1	Cl4	109.150	Cl3	C1	Cl5	109.150
Cl4	C1	Cl5	109.150	Cl6	C2	Cl7	109.150
Cl6	C2	Cl8	109.150	Cl7	C2	Cl8	109.150

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)