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	hartrees
Energy at 0K	-2833.818394
Energy at 298.15K
HF Energy	-2832.554605
Nuclear repulsion energy	1014.409392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	1003	1003
2	A_1g	440	440
3	A_1g	225	225
4	A_1u	79	79
5	A_2u	699	699
6	A_2u	387	387
7	E_g	894	894
7	E_g	894	894
8	E_g	347	347
8	E_g	347	347
9	E_g	222	222
9	E_g	222	222
10	E_u	802	802
10	E_u	802	802
11	E_u	287	287
11	E_u	287	287
12	E_u	162	162
12	E_u	162	162

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.793
C2	0.000	0.000	-0.793
Cl3	0.000	1.673	1.401
Cl4	-1.449	-0.836	1.401
Cl5	1.449	-0.836	1.401
Cl6	0.000	-1.673	-1.401
Cl7	-1.449	0.836	-1.401
Cl8	1.449	0.836	-1.401

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5860	1.7798	1.7798	1.7798	2.7587	2.7587	2.7587
C2	1.5860		2.7587	2.7587	2.7587	1.7798	1.7798	1.7798
Cl3	1.7798	2.7587		2.8974	2.8974	4.3636	3.2629	3.2629
Cl4	1.7798	2.7587	2.8974		2.8974	3.2629	3.2629	4.3636
Cl5	1.7798	2.7587	2.8974	2.8974		3.2629	4.3636	3.2629
Cl6	2.7587	1.7798	4.3636	3.2629	3.2629		2.8974	2.8974
Cl7	2.7587	1.7798	3.2629	3.2629	4.3636	2.8974		2.8974
Cl8	2.7587	1.7798	3.2629	4.3636	3.2629	2.8974	2.8974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.965	C1	C2	Cl7	109.965
C1	C2	Cl8	109.965	C2	C1	Cl3	109.965
C2	C1	Cl4	109.965	C2	C1	Cl5	109.965
Cl3	C1	Cl4	108.973	Cl3	C1	Cl5	108.973
Cl4	C1	Cl5	108.973	Cl6	C2	Cl7	108.973
Cl6	C2	Cl8	108.973	Cl7	C2	Cl8	108.973

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: QCISD(T)=FULL/6-31+G**

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: QCISD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)