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	hartrees
Energy at 0K	-2833.857085
Energy at 298.15K
HF Energy	-2832.692050
Nuclear repulsion energy	1011.693334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1031	989	0.00
2	A_1g	440	422	0.00
3	A_1g	227	218	0.00
4	A_1u	89	85	0.00
5	A_2u	699	670	53.93
6	A_2u	385	369	0.90
7	E_g	895	859	0.00
7	E_g	895	859	0.00
8	E_g	350	335	0.00
8	E_g	350	335	0.00
9	E_g	229	220	0.00
9	E_g	229	220	0.00
10	E_u	815	782	190.72
10	E_u	815	782	190.72
11	E_u	285	274	0.04
11	E_u	285	274	0.04
12	E_u	169	162	0.25
12	E_u	169	162	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.793
C2	0.000	0.000	-0.793
Cl3	0.000	1.681	1.399
Cl4	-1.456	-0.841	1.399
Cl5	1.456	-0.841	1.399
Cl6	0.000	-1.681	-1.399
Cl7	-1.456	0.841	-1.399
Cl8	1.456	0.841	-1.399

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5865	1.7867	1.7867	1.7867	2.7624	2.7624	2.7624
C2	1.5865		2.7624	2.7624	2.7624	1.7867	1.7867	1.7867
Cl3	1.7867	2.7624		2.9116	2.9116	4.3737	3.2638	3.2638
Cl4	1.7867	2.7624	2.9116		2.9116	3.2638	3.2638	4.3737
Cl5	1.7867	2.7624	2.9116	2.9116		3.2638	4.3737	3.2638
Cl6	2.7624	1.7867	4.3737	3.2638	3.2638		2.9116	2.9116
Cl7	2.7624	1.7867	3.2638	3.2638	4.3737	2.9116		2.9116
Cl8	2.7624	1.7867	3.2638	4.3737	3.2638	2.9116	2.9116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.810	C1	C2	Cl7	109.810
C1	C2	Cl8	109.810	C2	C1	Cl3	109.810
C2	C1	Cl4	109.810	C2	C1	Cl5	109.810
Cl3	C1	Cl4	109.131	Cl3	C1	Cl5	109.131
Cl4	C1	Cl5	109.131	Cl6	C2	Cl7	109.131
Cl6	C2	Cl8	109.131	Cl7	C2	Cl8	109.131

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)