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	hartrees
Energy at 0K	-2833.707554
Energy at 298.15K	-2833.708417
HF Energy	-2832.554782
Nuclear repulsion energy	1015.741387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1026	970	0.00
2	A_1g	447	423	0.00
3	A_1g	228	216	0.00
4	A_1u	81	76	0.00
5	A_2u	712	673	48.03
6	A_2u	392	371	1.02
7	E_g	918	868	0.00
7	E_g	918	868	0.00
8	E_g	353	333	0.00
8	E_g	353	333	0.00
9	E_g	225	213	0.00
9	E_g	225	213	0.00
10	E_u	822	778	168.96
10	E_u	822	778	168.96
11	E_u	291	275	0.03
11	E_u	291	275	0.03
12	E_u	165	156	0.11
12	E_u	165	156	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.792
C2	0.000	0.000	-0.792
Cl3	0.000	1.670	1.400
Cl4	-1.446	-0.835	1.400
Cl5	1.446	-0.835	1.400
Cl6	0.000	-1.670	-1.400
Cl7	-1.446	0.835	-1.400
Cl8	1.446	0.835	-1.400

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5846	1.7771	1.7771	1.7771	2.7559	2.7559	2.7559
C2	1.5846		2.7559	2.7559	2.7559	1.7771	1.7771	1.7771
Cl3	1.7771	2.7559		2.8923	2.8923	4.3583	3.2603	3.2603
Cl4	1.7771	2.7559	2.8923		2.8923	3.2603	3.2603	4.3583
Cl5	1.7771	2.7559	2.8923	2.8923		3.2603	4.3583	3.2603
Cl6	2.7559	1.7771	4.3583	3.2603	3.2603		2.8923	2.8923
Cl7	2.7559	1.7771	3.2603	3.2603	4.3583	2.8923		2.8923
Cl8	2.7559	1.7771	3.2603	4.3583	3.2603	2.8923	2.8923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.999	C1	C2	Cl7	109.999
C1	C2	Cl8	109.999	C2	C1	Cl3	109.999
C2	C1	Cl4	109.999	C2	C1	Cl5	109.999
Cl3	C1	Cl4	108.938	Cl3	C1	Cl5	108.938
Cl4	C1	Cl5	108.938	Cl6	C2	Cl7	108.938
Cl6	C2	Cl8	108.938	Cl7	C2	Cl8	108.938

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)