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	hartrees
Energy at 0K	-2836.516978
Energy at 298.15K
HF Energy	-2836.101989
Nuclear repulsion energy	1010.969766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	991	953	0.00	5.19	0.27	0.42
2	A_1g	432	415	0.00	31.48	0.02	0.03
3	A_1g	221	212	0.00	1.40	0.33	0.49
4	A_1u	83	80	0.00	0.00	0.00	0.00
5	A_2u	680	654	50.19	0.00	0.00	0.00
6	A_2u	377	363	0.47	0.00	0.00	0.00
7	E_g	840	808	0.00	15.11	0.75	0.86
7	E_g	840	808	0.00	15.10	0.75	0.86
8	E_g	339	326	0.00	6.56	0.75	0.86
8	E_g	339	326	0.00	6.56	0.75	0.86
9	E_g	223	214	0.00	2.64	0.75	0.86
9	E_g	223	214	0.00	2.64	0.75	0.86
10	E_u	768	739	197.50	0.00	0.44	0.62
10	E_u	768	739	197.51	0.00	0.46	0.63
11	E_u	278	267	0.03	0.00	0.00	0.00
11	E_u	278	267	0.03	0.00	0.00	0.00
12	E_u	163	157	0.09	0.00	0.45	0.62
12	E_u	163	157	0.09	0.00	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.791
C2	0.000	0.000	-0.791
Cl3	0.000	1.683	1.399
Cl4	-1.457	-0.841	1.399
Cl5	1.457	-0.841	1.399
Cl6	0.000	-1.683	-1.399
Cl7	-1.457	0.841	-1.399
Cl8	1.457	0.841	-1.399

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5820	1.7892	1.7892	1.7892	2.7621	2.7621	2.7621
C2	1.5820		2.7621	2.7621	2.7621	1.7892	1.7892	1.7892
Cl3	1.7892	2.7621		2.9143	2.9143	4.3769	3.2656	3.2656
Cl4	1.7892	2.7621	2.9143		2.9143	3.2656	3.2656	4.3769
Cl5	1.7892	2.7621	2.9143	2.9143		3.2656	4.3769	3.2656
Cl6	2.7621	1.7892	4.3769	3.2656	3.2656		2.9143	2.9143
Cl7	2.7621	1.7892	3.2656	3.2656	4.3769	2.9143		2.9143
Cl8	2.7621	1.7892	3.2656	4.3769	3.2656	2.9143	2.9143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.880	C1	C2	Cl7	109.880
C1	C2	Cl8	109.880	C2	C1	Cl3	109.880
C2	C1	Cl4	109.880	C2	C1	Cl5	109.880
Cl3	C1	Cl4	109.060	Cl3	C1	Cl5	109.060
Cl4	C1	Cl5	109.060	Cl6	C2	Cl7	109.060
Cl6	C2	Cl8	109.060	Cl7	C2	Cl8	109.060

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)