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	hartrees
Energy at 0K	-2820.720192
Energy at 298.15K	-2820.720883
HF Energy	-2819.645704
Nuclear repulsion energy	1008.273687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	949	912	0.00
2	A_1g	421	404	0.00
3	A_1g	224	216	0.00
4	A_1u	85	82	0.00
5	A_2u	681	655	38.68
6	A_2u	375	361	0.72
7	E_g	858	824	0.00
7	E_g	858	824	0.00
8	E_g	343	330	0.00
8	E_g	343	330	0.00
9	E_g	228	219	0.00
9	E_g	228	219	0.00
10	E_u	769	739	146.74
10	E_u	769	739	146.74
11	E_u	281	270	0.19
11	E_u	281	270	0.19
12	E_u	168	161	0.40
12	E_u	168	161	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.793
C2	0.000	0.000	-0.793
Cl3	0.000	1.689	1.399
Cl4	-1.463	-0.845	1.399
Cl5	1.463	-0.845	1.399
Cl6	0.000	-1.689	-1.399
Cl7	-1.463	0.845	-1.399
Cl8	1.463	0.845	-1.399

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5866	1.7948	1.7948	1.7948	2.7681	2.7681	2.7681
C2	1.5866		2.7681	2.7681	2.7681	1.7948	1.7948	1.7948
Cl3	1.7948	2.7681		2.9262	2.9262	4.3875	3.2692	3.2692
Cl4	1.7948	2.7681	2.9262		2.9262	3.2692	3.2692	4.3875
Cl5	1.7948	2.7681	2.9262	2.9262		3.2692	4.3875	3.2692
Cl6	2.7681	1.7948	4.3875	3.2692	3.2692		2.9262	2.9262
Cl7	2.7681	1.7948	3.2692	3.2692	4.3875	2.9262		2.9262
Cl8	2.7681	1.7948	3.2692	4.3875	3.2692	2.9262	2.9262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.736	C1	C2	Cl7	109.736
C1	C2	Cl8	109.736	C2	C1	Cl3	109.736
C2	C1	Cl4	109.736	C2	C1	Cl5	109.736
Cl3	C1	Cl4	109.205	Cl3	C1	Cl5	109.205
Cl4	C1	Cl5	109.205	Cl6	C2	Cl7	109.205
Cl6	C2	Cl8	109.205	Cl7	C2	Cl8	109.205

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)