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	hartrees
Energy at 0K	-2834.511595
Energy at 298.15K	-2834.501485
HF Energy	-2832.551955
Nuclear repulsion energy	1019.258580

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	1098	1035	0.00	9.70	0.39	0.56
2	A_1g	473	445	0.00	25.60	0.05	0.09
3	A_1g	244	229	0.00	1.74	0.60	0.75
4	A_1u	93	87	0.00	0.00	0.00	0.00
5	A_2u	755	712	66.25	0.00	0.00	0.00
6	A_2u	415	391	1.38	0.00	0.00	0.00
7	E_g	985	928	0.00	24.97	0.75	0.86
7	E_g	985	928	0.00	24.97	0.75	0.86
8	E_g	374	352	0.00	9.70	0.75	0.86
8	E_g	374	352	0.00	9.70	0.75	0.86
9	E_g	248	233	0.00	3.91	0.75	0.86
9	E_g	248	233	0.00	3.91	0.75	0.86
10	E_u	885	834	202.43	0.00	0.00	0.00
10	E_u	885	834	202.43	0.00	0.00	0.00
11	E_u	309	291	0.15	0.00	0.00	0.00
11	E_u	309	291	0.15	0.00	0.00	0.00
12	E_u	182	172	0.25	0.00	0.00	0.00
12	E_u	182	172	0.25	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	1.665	1.381
Cl4	-1.442	-0.832	1.381
Cl5	1.442	-0.832	1.381
Cl6	0.000	-1.665	-1.381
Cl7	-1.442	0.832	-1.381
Cl8	1.442	0.832	-1.381

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5777	1.7670	1.7670	1.7670	2.7350	2.7350	2.7350
C2	1.5777		2.7350	2.7350	2.7350	1.7670	1.7670	1.7670
Cl3	1.7670	2.7350		2.8836	2.8836	4.3262	3.2250	3.2250
Cl4	1.7670	2.7350	2.8836		2.8836	3.2250	3.2250	4.3262
Cl5	1.7670	2.7350	2.8836	2.8836		3.2250	4.3262	3.2250
Cl6	2.7350	1.7670	4.3262	3.2250	3.2250		2.8836	2.8836
Cl7	2.7350	1.7670	3.2250	3.2250	4.3262	2.8836		2.8836
Cl8	2.7350	1.7670	3.2250	4.3262	3.2250	2.8836	2.8836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.120	C1	C2	Cl7	110.120
C1	C2	Cl8	110.120	C2	C1	Cl3	110.120
C2	C1	Cl4	110.120	C2	C1	Cl5	110.120
Cl3	C1	Cl4	108.815	Cl3	C1	Cl5	108.815
Cl4	C1	Cl5	108.815	Cl6	C2	Cl7	108.815
Cl6	C2	Cl8	108.815	Cl7	C2	Cl8	108.815

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)