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	hartrees
Energy at 0K	-675.404673
Energy at 298.15K	-675.407147
Nuclear repulsion energy	454.886955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1305	1299	0.00
2	A_1g	753	750	0.00
3	A_1g	327	326	0.00
4	A_1u	50	50	0.00
5	A_2u	1047	1043	298.33
6	A_2u	669	667	28.70
7	E_g	1132	1127	0.00
7	E_g	1132	1127	0.00
8	E_g	576	574	0.00
8	E_g	576	574	0.00
9	E_g	356	355	0.00
9	E_g	356	355	0.00
10	E_u	1144	1139	557.20
10	E_u	1144	1139	557.27
11	E_u	490	488	2.49
11	E_u	490	488	2.49
12	E_u	205	205	2.83
12	E_u	205	205	2.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.783
C2	0.000	0.000	-0.783
F3	0.000	1.273	1.246
F4	-1.103	-0.637	1.246
F5	1.103	-0.637	1.246
F6	0.000	-1.273	-1.246
F7	-1.103	0.637	-1.246
F8	1.103	0.637	-1.246

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5652	1.3550	1.3550	1.3550	2.3953	2.3953	2.3953
C2	1.5652		2.3953	2.3953	2.3953	1.3550	1.3550	1.3550
F3	1.3550	2.3953		2.2052	2.2052	3.5632	2.7989	2.7989
F4	1.3550	2.3953	2.2052		2.2052	2.7989	2.7989	3.5632
F5	1.3550	2.3953	2.2052	2.2052		2.7989	3.5632	2.7989
F6	2.3953	1.3550	3.5632	2.7989	2.7989		2.2052	2.2052
F7	2.3953	1.3550	2.7989	2.7989	3.5632	2.2052		2.2052
F8	2.3953	1.3550	2.7989	3.5632	2.7989	2.2052	2.2052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.010	C1	C2	F7	110.010
C1	C2	F8	110.010	C2	C1	F3	110.010
C2	C1	F4	110.010	C2	C1	F5	110.010
F3	C1	F4	108.927	F3	C1	F5	108.927
F4	C1	F5	108.927	F6	C2	F7	108.927
F6	C2	F8	108.927	F7	C2	F8	108.927

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: BLYP/6-311G**

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	0.495
2	C	0.495
3	F	-0.165
4	F	-0.165
5	F	-0.165
6	F	-0.165
7	F	-0.165
8	F	-0.165

<r²>	204.725
(<r²>)^1/2	14.308

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)