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	hartrees
Energy at 0K	-675.262244
Energy at 298.15K	-675.264501
Nuclear repulsion energy	447.279250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1300	1249	0.00
2	A_1g	728	700	0.00
3	A_1g	323	311	0.00
4	A_1u	52	50	0.00
5	A_2u	1027	987	245.37
6	A_2u	630	606	47.06
7	E_g	1113	1070	0.00
7	E_g	1113	1070	0.00
8	E_g	558	537	0.00
8	E_g	558	537	0.00
9	E_g	337	324	0.00
9	E_g	337	324	0.00
10	E_u	1134	1090	467.79
10	E_u	1134	1090	467.82
11	E_u	459	441	8.92
11	E_u	459	441	8.92
12	E_u	200	192	5.04
12	E_u	200	192	5.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
C2	0.000	0.000	-0.780
F3	0.000	1.301	1.258
F4	-1.126	-0.650	1.258
F5	1.126	-0.650	1.258
F6	0.000	-1.301	-1.258
F7	-1.126	0.650	-1.258
F8	1.126	0.650	-1.258

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5609	1.3858	1.3858	1.3858	2.4184	2.4184	2.4184
C2	1.5609		2.4184	2.4184	2.4184	1.3858	1.3858	1.3858
F3	1.3858	2.4184		2.2530	2.2530	3.6197	2.8330	2.8330
F4	1.3858	2.4184	2.2530		2.2530	2.8330	2.8330	3.6197
F5	1.3858	2.4184	2.2530	2.2530		2.8330	3.6197	2.8330
F6	2.4184	1.3858	3.6197	2.8330	2.8330		2.2530	2.2530
F7	2.4184	1.3858	2.8330	2.8330	3.6197	2.2530		2.2530
F8	2.4184	1.3858	2.8330	3.6197	2.8330	2.2530	2.2530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.175	C1	C2	F7	110.175
C1	C2	F8	110.175	C2	C1	F3	110.175
C2	C1	F4	110.175	C2	C1	F5	110.175
F3	C1	F4	108.759	F3	C1	F5	108.759
F4	C1	F5	108.759	F6	C2	F7	108.759
F6	C2	F8	108.759	F7	C2	F8	108.759

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: B3LYP/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	0.474
2	C	0.474
3	F	-0.158
4	F	-0.158
5	F	-0.158
6	F	-0.158
7	F	-0.158
8	F	-0.158

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)