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	hartrees
Energy at 0K	-153.946814
Energy at 298.15K	-153.949661
Nuclear repulsion energy	256.126815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1495	1364	0.00
2	A_1g	797	727	0.00
3	A_1g	355	324	0.00
4	A_1u	68	62	0.00
5	A_2u	1135	1036	343.67
6	A_2u	694	633	67.18
7	E_g	1310	1195	0.00
7	E_g	1310	1195	0.00
8	E_g	617	563	0.00
8	E_g	617	563	0.00
9	E_g	381	347	0.00
9	E_g	381	347	0.00
10	E_u	1310	1196	533.56
10	E_u	1310	1196	533.56
11	E_u	509	464	16.04
11	E_u	509	464	16.04
12	E_u	223	204	6.52
12	E_u	223	204	6.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.777
C2	0.000	0.000	-0.777
F3	0.000	1.275	1.243
F4	-1.104	-0.637	1.243
F5	1.104	-0.637	1.243
F6	0.000	-1.275	-1.243
F7	-1.104	0.637	-1.243
F8	1.104	0.637	-1.243

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5530	1.3577	1.3577	1.3577	2.3884	2.3884	2.3884
C2	1.5530		2.3884	2.3884	2.3884	1.3577	1.3577	1.3577
F3	1.3577	2.3884		2.2083	2.2083	3.5615	2.7942	2.7942
F4	1.3577	2.3884	2.2083		2.2083	2.7942	2.7942	3.5615
F5	1.3577	2.3884	2.2083	2.2083		2.7942	3.5615	2.7942
F6	2.3884	1.3577	3.5615	2.7942	2.7942		2.2083	2.2083
F7	2.3884	1.3577	2.7942	2.7942	3.5615	2.2083		2.2083
F8	2.3884	1.3577	2.7942	3.5615	2.7942	2.2083	2.2083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.105	C1	C2	F7	110.105
C1	C2	F8	110.105	C2	C1	F3	110.105
C2	C1	F4	110.105	C2	C1	F5	110.105
F3	C1	F4	108.830	F3	C1	F5	108.830
F4	C1	F5	108.830	F6	C2	F7	108.830
F6	C2	F8	108.830	F7	C2	F8	108.830

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: HF/CEP-121G

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	0.583
2	C	0.583
3	F	-0.194
4	F	-0.194
5	F	-0.194
6	F	-0.194
7	F	-0.194
8	F	-0.194

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)