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	hartrees
Energy at 0K	-153.934670
Energy at 298.15K	-153.937474
Nuclear repulsion energy	255.782632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1493	1346	0.00
2	A_1g	806	726	0.00
3	A_1g	357	321	0.00
4	A_1u	67	60	0.00
5	A_2u	1141	1029	324.91
6	A_2u	697	628	72.32
7	E_g	1317	1187	0.00
7	E_g	1317	1187	0.00
8	E_g	619	558	0.00
8	E_g	619	558	0.00
9	E_g	382	344	0.00
9	E_g	382	344	0.00
10	E_u	1318	1188	513.95
10	E_u	1318	1188	513.95
11	E_u	511	461	16.95
11	E_u	511	461	16.95
12	E_u	222	200	6.91
12	E_u	222	200	6.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
C2	0.000	0.000	-0.779
F3	0.000	1.276	1.246
F4	-1.105	-0.638	1.246
F5	1.105	-0.638	1.246
F6	0.000	-1.276	-1.246
F7	-1.105	0.638	-1.246
F8	1.105	0.638	-1.246

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5585	1.3587	1.3587	1.3587	2.3937	2.3937	2.3937
C2	1.5585		2.3937	2.3937	2.3937	1.3587	1.3587	1.3587
F3	1.3587	2.3937		2.2101	2.2101	3.5668	2.7996	2.7996
F4	1.3587	2.3937	2.2101		2.2101	2.7996	2.7996	3.5668
F5	1.3587	2.3937	2.2101	2.2101		2.7996	3.5668	2.7996
F6	2.3937	1.3587	3.5668	2.7996	2.7996		2.2101	2.2101
F7	2.3937	1.3587	2.7996	2.7996	3.5668	2.2101		2.2101
F8	2.3937	1.3587	2.7996	3.5668	2.7996	2.2101	2.2101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.091	C1	C2	F7	110.091
C1	C2	F8	110.091	C2	C1	F3	110.091
C2	C1	F4	110.091	C2	C1	F5	110.091
F3	C1	F4	108.844	F3	C1	F5	108.844
F4	C1	F5	108.844	F6	C2	F7	108.844
F6	C2	F8	108.844	F7	C2	F8	108.844

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: HF/CEP-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	0.522
2	C	0.522
3	F	-0.174
4	F	-0.174
5	F	-0.174
6	F	-0.174
7	F	-0.174
8	F	-0.174

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)