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	hartrees
Energy at 0K	-2834.063437
Energy at 298.15K
HF Energy	-2832.590831
Nuclear repulsion energy	1020.495926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1044	987	0.00
2	A_1g	449	425	0.00
3	A_1g	229	216	0.00
4	A_1u	90	85	0.00
5	A_2u	712	673	46.12
6	A_2u	389	368	1.03
7	E_g	917	867	0.00
7	E_g	917	867	0.00
8	E_g	353	334	0.00
8	E_g	353	334	0.00
9	E_g	231	218	0.00
9	E_g	231	218	0.00
10	E_u	838	792	168.11
10	E_u	838	792	168.11
11	E_u	286	270	0.02
11	E_u	286	270	0.02
12	E_u	170	161	0.09
12	E_u	170	161	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.788
C2	0.000	0.000	-0.788
Cl3	0.000	1.666	1.388
Cl4	-1.443	-0.833	1.388
Cl5	1.443	-0.833	1.388
Cl6	0.000	-1.666	-1.388
Cl7	-1.443	0.833	-1.388
Cl8	1.443	0.833	-1.388

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5768	1.7703	1.7703	1.7703	2.7406	2.7406	2.7406
C2	1.5768		2.7406	2.7406	2.7406	1.7703	1.7703	1.7703
Cl3	1.7703	2.7406		2.8852	2.8852	4.3362	3.2370	3.2370
Cl4	1.7703	2.7406	2.8852		2.8852	3.2370	3.2370	4.3362
Cl5	1.7703	2.7406	2.8852	2.8852		3.2370	4.3362	3.2370
Cl6	2.7406	1.7703	4.3362	3.2370	3.2370		2.8852	2.8852
Cl7	2.7406	1.7703	3.2370	3.2370	4.3362	2.8852		2.8852
Cl8	2.7406	1.7703	3.2370	4.3362	3.2370	2.8852	2.8852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.789	C1	C2	Cl7	109.789
C1	C2	Cl8	109.789	C2	C1	Cl3	109.789
C2	C1	Cl4	109.789	C2	C1	Cl5	109.789
Cl3	C1	Cl4	109.152	Cl3	C1	Cl5	109.152
Cl4	C1	Cl5	109.152	Cl6	C2	Cl7	109.152
Cl6	C2	Cl8	109.152	Cl7	C2	Cl8	109.152

All results from a given calculation for C₂Cl₆ (hexachloroethane)

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

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)