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	hartrees
Energy at 0K	-2834.117726
Energy at 298.15K
HF Energy	-2832.719540
Nuclear repulsion energy	1015.326296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1040	985	0.00
2	A_1g	444	421	0.00
3	A_1g	233	220	0.00
4	A_1u	92	87	0.00
5	A_2u	712	674	51.89
6	A_2u	388	368	1.22
7	E_g	918	870	0.00
7	E_g	918	870	0.00
8	E_g	352	334	0.00
8	E_g	352	334	0.00
9	E_g	232	220	0.00
9	E_g	232	220	0.00
10	E_u	822	779	165.08
10	E_u	822	779	165.08
11	E_u	289	274	0.02
11	E_u	289	274	0.02
12	E_u	173	164	0.21
12	E_u	173	164	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.786
C2	0.000	0.000	-0.786
Cl3	0.000	1.676	1.392
Cl4	-1.452	-0.838	1.392
Cl5	1.452	-0.838	1.392
Cl6	0.000	-1.676	-1.392
Cl7	-1.452	0.838	-1.392
Cl8	1.452	0.838	-1.392

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5724	1.7824	1.7824	1.7824	2.7485	2.7485	2.7485
C2	1.5724		2.7485	2.7485	2.7485	1.7824	1.7824	1.7824
Cl3	1.7824	2.7485		2.9035	2.9035	4.3578	3.2496	3.2496
Cl4	1.7824	2.7485	2.9035		2.9035	3.2496	3.2496	4.3578
Cl5	1.7824	2.7485	2.9035	2.9035		3.2496	4.3578	3.2496
Cl6	2.7485	1.7824	4.3578	3.2496	3.2496		2.9035	2.9035
Cl7	2.7485	1.7824	3.2496	3.2496	4.3578	2.9035		2.9035
Cl8	2.7485	1.7824	3.2496	4.3578	3.2496	2.9035	2.9035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.868	C1	C2	Cl7	109.868
C1	C2	Cl8	109.868	C2	C1	Cl3	109.868
C2	C1	Cl4	109.868	C2	C1	Cl5	109.868
Cl3	C1	Cl4	109.072	Cl3	C1	Cl5	109.072
Cl4	C1	Cl5	109.072	Cl6	C2	Cl7	109.072
Cl6	C2	Cl8	109.072	Cl7	C2	Cl8	109.072

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: CCSD=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)