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	hartrees
Energy at 0K	-2833.674480
Energy at 298.15K	-2833.675503
HF Energy	-2832.551777
Nuclear repulsion energy	1018.943112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1048	975	0.00
2	A_1g	455	424	0.00
3	A_1g	234	218	0.00
4	A_1u	92	85	0.00
5	A_2u	724	674	54.07
6	A_2u	399	371	1.35
7	E_g	934	869	0.00
7	E_g	934	869	0.00
8	E_g	360	335	0.00
8	E_g	360	335	0.00
9	E_g	237	220	0.00
9	E_g	237	220	0.00
10	E_u	841	783	179.32
10	E_u	841	783	179.32
11	E_u	296	275	0.11
11	E_u	296	275	0.11
12	E_u	174	162	0.23
12	E_u	174	162	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.794
C2	0.000	0.000	-0.794
Cl3	0.000	1.667	1.402
Cl4	-1.443	-0.833	1.402
Cl5	1.443	-0.833	1.402
Cl6	0.000	-1.667	-1.402
Cl7	-1.443	0.833	-1.402
Cl8	1.443	0.833	-1.402

	C1	C2	Cl3	Cl4	Cl5	Cl6	Cl7	Cl8
C1		1.5877	1.7743	1.7743	1.7743	2.7571	2.7571	2.7571
C2	1.5877		2.7571	2.7571	2.7571	1.7743	1.7743	1.7743
Cl3	1.7743	2.7571		2.8867	2.8867	4.3564	3.2627	3.2627
Cl4	1.7743	2.7571	2.8867		2.8867	3.2627	3.2627	4.3564
Cl5	1.7743	2.7571	2.8867	2.8867		3.2627	4.3564	3.2627
Cl6	2.7571	1.7743	4.3564	3.2627	3.2627		2.8867	2.8867
Cl7	2.7571	1.7743	3.2627	3.2627	4.3564	2.8867		2.8867
Cl8	2.7571	1.7743	3.2627	4.3564	3.2627	2.8867	2.8867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.061	C1	C2	Cl7	110.061
C1	C2	Cl8	110.061	C2	C1	Cl3	110.061
C2	C1	Cl4	110.061	C2	C1	Cl5	110.061
Cl3	C1	Cl4	108.875	Cl3	C1	Cl5	108.875
Cl4	C1	Cl5	108.875	Cl6	C2	Cl7	108.875
Cl6	C2	Cl8	108.875	Cl7	C2	Cl8	108.875

All results from a given calculation for C₂Cl₆ (hexachloroethane)

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂Cl₆ (hexachloroethane)