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	hartrees
Energy at 0K	-2832.717009
Energy at 298.15K
HF Energy	-2832.717009
Nuclear repulsion energy	1019.235019

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	1100	995	0.00	8.95	0.45	0.62
2	A_1g	468	423	0.00	24.56	0.05	0.09
3	A_1g	245	221	0.00	1.97	0.60	0.75
4	A_1u	95	86	0.00	0.00	0.00	0.00
5	A_2u	749	677	68.37	0.00	0.00	0.00
6	A_2u	412	373	0.65	0.00	0.00	0.00
7	E_g	978	885	0.00	27.46	0.75	0.86
7	E_g	978	885	0.00	27.46	0.75	0.86
8	E_g	373	338	0.00	10.21	0.75	0.86
8	E_g	373	338	0.00	10.21	0.75	0.86
9	E_g	249	226	0.00	4.49	0.75	0.86
9	E_g	249	226	0.00	4.49	0.75	0.86
10	E_u	877	793	218.09	0.00	0.00	0.00
10	E_u	877	793	218.09	0.00	0.00	0.00
11	E_u	310	280	0.01	0.00	0.00	0.00
11	E_u	310	280	0.01	0.00	0.00	0.00
12	E_u	184	166	0.23	0.00	0.00	0.00
12	E_u	184	166	0.23	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.789
C2	0.000	0.000	-0.789
Cl3	0.000	1.662	1.399
Cl4	-1.439	-0.831	1.399
Cl5	1.439	-0.831	1.399
Cl6	0.000	-1.662	-1.399
Cl7	-1.439	0.831	-1.399
Cl8	1.439	0.831	-1.399

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5785	1.7701	1.7701	1.7701	2.7479	2.7479	2.7479
C2	1.5785		2.7479	2.7479	2.7479	1.7701	1.7701	1.7701
Cl3	1.7701	2.7479		2.8780	2.8780	4.3447	3.2548	3.2548
Cl4	1.7701	2.7479	2.8780		2.8780	3.2548	3.2548	4.3447
Cl5	1.7701	2.7479	2.8780	2.8780		3.2548	4.3447	3.2548
Cl6	2.7479	1.7701	4.3447	3.2548	3.2548		2.8780	2.8780
Cl7	2.7479	1.7701	3.2548	3.2548	4.3447	2.8780		2.8780
Cl8	2.7479	1.7701	3.2548	4.3447	3.2548	2.8780	2.8780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.163	C1	C2	Cl7	110.163
C1	C2	Cl8	110.163	C2	C1	Cl3	110.163
C2	C1	Cl4	110.163	C2	C1	Cl5	110.163
Cl3	C1	Cl4	108.771	Cl3	C1	Cl5	108.771
Cl4	C1	Cl5	108.771	Cl6	C2	Cl7	108.771
Cl6	C2	Cl8	108.771	Cl7	C2	Cl8	108.771

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.235
2	C	-0.235
3	Cl	0.078
4	Cl	0.078
5	Cl	0.078
6	Cl	0.078
7	Cl	0.078
8	Cl	0.078

All results from a given calculation for C2Cl6 (hexachloroethane)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)