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	hartrees
Energy at 0K	-2834.571531
Energy at 298.15K	-2834.561542
HF Energy	-2832.559007
Nuclear repulsion energy	1017.916514

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	1096	1096	0.00	8.97	0.39	0.57
2	A_1g	470	470	0.00	24.98	0.04	0.08
3	A_1g	242	242	0.00	1.70	0.60	0.75
4	A_1u	93	93	0.00	0.00	0.00	0.00
5	A_2u	752	752	68.34	0.00	0.00	0.00
6	A_2u	413	413	1.28	0.00	0.00	0.00
7	E_g	983	983	0.00	24.13	0.75	0.86
7	E_g	983	983	0.00	24.13	0.75	0.86
8	E_g	371	371	0.00	9.24	0.75	0.86
8	E_g	371	371	0.00	9.24	0.75	0.86
9	E_g	246	246	0.00	3.83	0.75	0.86
9	E_g	246	246	0.00	3.83	0.75	0.86
10	E_u	885	885	213.96	0.00	0.00	0.00
10	E_u	885	885	213.96	0.00	0.00	0.00
11	E_u	306	306	0.10	0.00	0.00	0.00
11	E_u	306	306	0.10	0.00	0.00	0.00
12	E_u	181	181	0.23	0.00	0.00	0.00
12	E_u	181	181	0.23	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.792
C2	0.000	0.000	-0.792
Cl3	0.000	1.664	1.401
Cl4	-1.441	-0.832	1.401
Cl5	1.441	-0.832	1.401
Cl6	0.000	-1.664	-1.401
Cl7	-1.441	0.832	-1.401
Cl8	1.441	0.832	-1.401

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5849	1.7715	1.7715	1.7715	2.7532	2.7532	2.7532
C2	1.5849		2.7532	2.7532	2.7532	1.7715	1.7715	1.7715
Cl3	1.7715	2.7532		2.8814	2.8814	4.3503	3.2592	3.2592
Cl4	1.7715	2.7532	2.8814		2.8814	3.2592	3.2592	4.3503
Cl5	1.7715	2.7532	2.8814	2.8814		3.2592	4.3503	3.2592
Cl6	2.7532	1.7715	4.3503	3.2592	3.2592		2.8814	2.8814
Cl7	2.7532	1.7715	3.2592	3.2592	4.3503	2.8814		2.8814
Cl8	2.7532	1.7715	3.2592	4.3503	3.2592	2.8814	2.8814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.104	C1	C2	Cl7	110.104
C1	C2	Cl8	110.104	C2	C1	Cl3	110.104
C2	C1	Cl4	110.104	C2	C1	Cl5	110.104
Cl3	C1	Cl4	108.831	Cl3	C1	Cl5	108.831
Cl4	C1	Cl5	108.831	Cl6	C2	Cl7	108.831
Cl6	C2	Cl8	108.831	Cl7	C2	Cl8	108.831

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)