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	hartrees
Energy at 0K	-2834.195363
Energy at 298.15K
HF Energy	-2832.590689
Nuclear repulsion energy	1025.159816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1062	1000	0.00
2	A_1g	455	428	0.00
3	A_1g	232	219	0.00
4	A_1u	92	87	0.00
5	A_2u	721	678	44.47
6	A_2u	393	370	1.02
7	E_g	925	871	0.00
7	E_g	925	871	0.00
8	E_g	358	337	0.00
8	E_g	358	337	0.00
9	E_g	235	221	0.00
9	E_g	235	221	0.00
10	E_u	849	799	166.30
10	E_u	849	799	166.30
11	E_u	290	273	0.03
11	E_u	290	273	0.03
12	E_u	173	163	0.09
12	E_u	173	163	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.784
C2	0.000	0.000	-0.784
Cl3	0.000	1.660	1.379
Cl4	-1.437	-0.830	1.379
Cl5	1.437	-0.830	1.379
Cl6	0.000	-1.660	-1.379
Cl7	-1.437	0.830	-1.379
Cl8	1.437	0.830	-1.379

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5690	1.7629	1.7629	1.7629	2.7270	2.7270	2.7270
C2	1.5690		2.7270	2.7270	2.7270	1.7629	1.7629	1.7629
Cl3	1.7629	2.7270		2.8744	2.8744	4.3159	3.2195	3.2195
Cl4	1.7629	2.7270	2.8744		2.8744	3.2195	3.2195	4.3159
Cl5	1.7629	2.7270	2.8744	2.8744		3.2195	4.3159	3.2195
Cl6	2.7270	1.7629	4.3159	3.2195	3.2195		2.8744	2.8744
Cl7	2.7270	1.7629	3.2195	3.2195	4.3159	2.8744		2.8744
Cl8	2.7270	1.7629	3.2195	4.3159	3.2195	2.8744	2.8744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.721	C1	C2	Cl7	109.721
C1	C2	Cl8	109.721	C2	C1	Cl3	109.721
C2	C1	Cl4	109.721	C2	C1	Cl5	109.721
Cl3	C1	Cl4	109.220	Cl3	C1	Cl5	109.220
Cl4	C1	Cl5	109.220	Cl6	C2	Cl7	109.220
Cl6	C2	Cl8	109.220	Cl7	C2	Cl8	109.220

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)