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	hartrees
Energy at 0K	-675.036928
Energy at 298.15K	-675.039174
Nuclear repulsion energy	446.178708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1283	1274	0.00
2	A_1g	713	707	0.00
3	A_1g	325	323	0.00
4	A_1u	52	52	0.00
5	A_2u	1028	1020	238.72
6	A_2u	617	612	40.21
7	E_g	1131	1123	0.00
7	E_g	1131	1123	0.00
8	E_g	554	550	0.00
8	E_g	554	550	0.00
9	E_g	334	331	0.00
9	E_g	334	331	0.00
10	E_u	1146	1137	418.30
10	E_u	1145	1137	418.28
11	E_u	454	451	6.05
11	E_u	454	451	6.05
12	E_u	200	199	3.54
12	E_u	200	199	3.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.773
C2	0.000	0.000	-0.773
F3	0.000	1.310	1.252
F4	-1.134	-0.655	1.252
F5	1.134	-0.655	1.252
F6	0.000	-1.310	-1.252
F7	-1.134	0.655	-1.252
F8	1.134	0.655	-1.252

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5450	1.3950	1.3950	1.3950	2.4113	2.4113	2.4113
C2	1.5450		2.4113	2.4113	2.4113	1.3950	1.3950	1.3950
F3	1.3950	2.4113		2.2689	2.2689	3.6241	2.8259	2.8259
F4	1.3950	2.4113	2.2689		2.2689	2.8259	2.8259	3.6241
F5	1.3950	2.4113	2.2689	2.2689		2.8259	3.6241	2.8259
F6	2.4113	1.3950	3.6241	2.8259	2.8259		2.2689	2.2689
F7	2.4113	1.3950	2.8259	2.8259	3.6241	2.2689		2.2689
F8	2.4113	1.3950	2.8259	3.6241	2.8259	2.2689	2.2689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.104	C1	C2	F7	110.104
C1	C2	F8	110.104	C2	C1	F3	110.104
C2	C1	F4	110.104	C2	C1	F5	110.104
F3	C1	F4	108.831	F3	C1	F5	108.831
F4	C1	F5	108.831	F6	C2	F7	108.831
F6	C2	F8	108.831	F7	C2	F8	108.831

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: BLYP/6-31G

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	0.639
2	C	0.639
3	F	-0.213
4	F	-0.213
5	F	-0.213
6	F	-0.213
7	F	-0.213
8	F	-0.213

	x	y	z
x	3.671	0.000	0.000
y	0.000	3.671	-0.000
z	0.000	-0.000	3.121

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)