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	hartrees
Energy at 0K	-673.153486
Energy at 298.15K	-673.155688
HF Energy	-672.288992
Nuclear repulsion energy	442.366386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1310	1262	0.00
2	A_1g	701	675	0.00
3	A_1g	322	310	0.00
4	A_1u	60	58	0.00
5	A_2u	1002	965	265.54
6	A_2u	612	590	46.60
7	E_g	1087	1047	0.00
7	E_g	1087	1047	0.00
8	E_g	549	529	0.00
8	E_g	549	529	0.00
9	E_g	334	322	0.00
9	E_g	334	322	0.00
10	E_u	1107	1066	465.24
10	E_u	1107	1066	465.24
11	E_u	450	433	10.45
11	E_u	450	433	10.45
12	E_u	201	194	5.80
12	E_u	201	194	5.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
C2	0.000	0.000	-0.785
F3	0.000	1.317	1.270
F4	-1.140	-0.658	1.270
F5	1.140	-0.658	1.270
F6	0.000	-1.317	-1.270
F7	-1.140	0.658	-1.270
F8	1.140	0.658	-1.270

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5699	1.4032	1.4032	1.4032	2.4407	2.4407	2.4407
C2	1.5699		2.4407	2.4407	2.4407	1.4032	1.4032	1.4032
F3	1.4032	2.4407		2.2806	2.2806	3.6589	2.8612	2.8612
F4	1.4032	2.4407	2.2806		2.2806	2.8612	2.8612	3.6589
F5	1.4032	2.4407	2.2806	2.2806		2.8612	3.6589	2.8612
F6	2.4407	1.4032	3.6589	2.8612	2.8612		2.2806	2.2806
F7	2.4407	1.4032	2.8612	2.8612	3.6589	2.2806		2.2806
F8	2.4407	1.4032	2.8612	3.6589	2.8612	2.2806	2.2806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.228	C1	C2	F7	110.228
C1	C2	F8	110.228	C2	C1	F3	110.228
C2	C1	F4	110.228	C2	C1	F5	110.228
F3	C1	F4	108.704	F3	C1	F5	108.704
F4	C1	F5	108.704	F6	C2	F7	108.704
F6	C2	F8	108.704	F7	C2	F8	108.704

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP2/LANL2DZ

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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Number	Element	Mulliken
1	C	0.625
2	C	0.625
3	F	-0.208
4	F	-0.208
5	F	-0.208
6	F	-0.208
7	F	-0.208
8	F	-0.208

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)