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	hartrees
Energy at 0K	-674.918350
Energy at 298.15K	-674.920872
HF Energy	-674.918350
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1360	1333	0.00
2	A_1g	773	758	0.00
3	A_1g	335	328	0.00
4	A_1u	51	50	0.00
5	A_2u	1086	1065	283.15
6	A_2u	681	668	30.66
7	E_g	1204	1181	0.00
7	E_g	1204	1181	0.00
8	E_g	590	578	0.00
8	E_g	590	578	0.00
9	E_g	361	354	0.00
9	E_g	361	354	0.00
10	E_u	1214	1190	521.44
10	E_u	1214	1190	521.32
11	E_u	496	486	2.80
11	E_u	496	486	2.80
12	E_u	206	202	2.16
12	E_u	206	202	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.779
C2	0.000	0.000	-0.779
F3	0.000	1.267	1.237
F4	-1.097	-0.634	1.237
F5	1.097	-0.634	1.237
F6	0.000	-1.267	-1.237
F7	-1.097	0.634	-1.237
F8	1.097	0.634	-1.237

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5574	1.3474	1.3474	1.3474	2.3806	2.3806	2.3806
C2	1.5574		2.3806	2.3806	2.3806	1.3474	1.3474	1.3474
F3	1.3474	2.3806		2.1949	2.1949	3.5411	2.7789	2.7789
F4	1.3474	2.3806	2.1949		2.1949	2.7789	2.7789	3.5411
F5	1.3474	2.3806	2.1949	2.1949		2.7789	3.5411	2.7789
F6	2.3806	1.3474	3.5411	2.7789	2.7789		2.1949	2.1949
F7	2.3806	1.3474	2.7789	2.7789	3.5411	2.1949		2.1949
F8	2.3806	1.3474	2.7789	3.5411	2.7789	2.1949	2.1949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.848	C1	C2	F7	108.848
C1	C2	F8	108.848	C2	C1	F3	108.848
C2	C1	F4	108.848	C2	C1	F5	108.848
F3	C1	F4	110.087	F3	C1	F5	110.087
F4	C1	F5	110.087	F6	C2	F7	110.087
F6	C2	F8	110.087	F7	C2	F8	110.087

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: B97D3/6-31G*

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	0.703
2	C	0.703
3	F	-0.234
4	F	-0.234
5	F	-0.234
6	F	-0.234
7	F	-0.234
8	F	-0.234

<r²>	201.553
(<r²>)^1/2	14.197

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)