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	hartrees
Energy at 0K	-675.545542
Energy at 298.15K	-675.548291
HF Energy	-675.545542
Nuclear repulsion energy	460.594030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1375	1328	0.00
2	A_1g	799	771	0.00
3	A_1g	343	331	0.00
4	A_1u	60	58	0.00
5	A_2u	1105	1067	313.66
6	A_2u	710	685	35.56
7	E_g	1210	1168	0.00
7	E_g	1210	1168	0.00
8	E_g	611	590	0.00
8	E_g	611	590	0.00
9	E_g	375	362	0.00
9	E_g	375	362	0.00
10	E_u	1220	1178	593.29
10	E_u	1220	1178	593.38
11	E_u	519	501	3.94
11	E_u	519	501	3.94
12	E_u	217	209	3.21
12	E_u	217	209	3.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
C2	0.000	0.000	-0.780
F3	0.000	1.256	1.233
F4	-1.087	-0.628	1.233
F5	1.087	-0.628	1.233
F6	0.000	-1.256	-1.233
F7	-1.087	0.628	-1.233
F8	1.087	0.628	-1.233

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5600	1.3350	1.3350	1.3350	2.3728	2.3728	2.3728
C2	1.5600		2.3728	2.3728	2.3728	1.3350	1.3350	1.3350
F3	1.3350	2.3728		2.1749	2.1749	3.5201	2.7679	2.7679
F4	1.3350	2.3728	2.1749		2.1749	2.7679	2.7679	3.5201
F5	1.3350	2.3728	2.1749	2.1749		2.7679	3.5201	2.7679
F6	2.3728	1.3350	3.5201	2.7679	2.7679		2.1749	2.1749
F7	2.3728	1.3350	2.7679	2.7679	3.5201	2.1749		2.1749
F8	2.3728	1.3350	2.7679	3.5201	2.7679	2.1749	2.1749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.850	C1	C2	F7	109.850
C1	C2	F8	109.850	C2	C1	F3	109.850
C2	C1	F4	109.850	C2	C1	F5	109.850
F3	C1	F4	109.090	F3	C1	F5	109.090
F4	C1	F5	109.090	F6	C2	F7	109.090
F6	C2	F8	109.090	F7	C2	F8	109.090

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: B3LYP/TZVP

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	0.395
2	C	0.395
3	F	-0.132
4	F	-0.132
5	F	-0.132
6	F	-0.132
7	F	-0.132
8	F	-0.132

<r²>	201.061
(<r²>)^1/2	14.180

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)