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	hartrees
Energy at 0K	-675.126121
Energy at 298.15K	-675.128768
Nuclear repulsion energy	463.450561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1453	1387	0.00
2	A_1g	818	781	0.00
3	A_1g	341	325	0.00
4	A_1u	43	41	0.00
5	A_2u	1147	1095	285.97
6	A_2u	708	676	40.59
7	E_g	1290	1231	0.00
7	E_g	1289	1231	0.00
8	E_g	616	588	0.00
8	E_g	616	588	0.00
9	E_g	370	353	0.00
9	E_g	370	353	0.00
10	E_u	1303	1244	528.90
10	E_u	1303	1244	528.83
11	E_u	513	490	4.74
11	E_u	513	490	4.74
12	E_u	195	186	2.60
12	E_u	195	186	2.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.769
C2	0.000	0.000	-0.769
F3	0.000	1.252	1.219
F4	-1.084	-0.626	1.219
F5	1.084	-0.626	1.219
F6	0.000	-1.252	-1.219
F7	-1.084	0.626	-1.219
F8	1.084	0.626	-1.219

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5378	1.3304	1.3304	1.3304	2.3495	2.3495	2.3495
C2	1.5378		2.3495	2.3495	2.3495	1.3304	1.3304	1.3304
F3	1.3304	2.3495		2.1683	2.1683	3.4951	2.7412	2.7412
F4	1.3304	2.3495	2.1683		2.1683	2.7412	2.7412	3.4951
F5	1.3304	2.3495	2.1683	2.1683		2.7412	3.4951	2.7412
F6	2.3495	1.3304	3.4951	2.7412	2.7412		2.1683	2.1683
F7	2.3495	1.3304	2.7412	2.7412	3.4951	2.1683		2.1683
F8	2.3495	1.3304	2.7412	3.4951	2.7412	2.1683	2.1683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.789	C1	C2	F7	109.789
C1	C2	F8	109.789	C2	C1	F3	109.789
C2	C1	F4	109.789	C2	C1	F5	109.789
F3	C1	F4	109.151	F3	C1	F5	109.151
F4	C1	F5	109.151	F6	C2	F7	109.151
F6	C2	F8	109.151	F7	C2	F8	109.151

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: B1B95/6-31G**

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	0.726
2	C	0.726
3	F	-0.242
4	F	-0.242
5	F	-0.242
6	F	-0.242
7	F	-0.242
8	F	-0.242

	x	y	z
x	3.561	0.000	0.000
y	0.000	3.561	-0.000
z	0.000	-0.000	3.479

<r²>	197.077
(<r²>)^1/2	14.038

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)