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	hartrees
Energy at 0K	-155.499914
Energy at 298.15K	-155.502656
HF Energy	-154.198736
Nuclear repulsion energy	257.815411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1460	1391	0.00
2	A_1g	800	762	0.00
3	A_1g	349	332	0.00
4	A_1u	69	66	0.00
5	A_2u	1114	1062	294.69
6	A_2u	702	669	36.58
7	E_g	1246	1188	0.00
7	E_g	1246	1188	0.00
8	E_g	611	582	0.00
8	E_g	611	582	0.00
9	E_g	373	355	0.00
9	E_g	373	355	0.00
10	E_u	1260	1200	588.11
10	E_u	1260	1200	588.11
11	E_u	513	488	4.77
11	E_u	513	488	4.77
12	E_u	216	205	3.23
12	E_u	216	205	3.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.780
C2	0.000	0.000	-0.780
F3	0.000	1.265	1.237
F4	-1.096	-0.632	1.237
F5	1.096	-0.632	1.237
F6	0.000	-1.265	-1.237
F7	-1.096	0.632	-1.237
F8	1.096	0.632	-1.237

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5606	1.3450	1.3450	1.3450	2.3815	2.3815	2.3815
C2	1.5606		2.3815	2.3815	2.3815	1.3450	1.3450	1.3450
F3	1.3450	2.3815		2.1910	2.1910	3.5391	2.7794	2.7794
F4	1.3450	2.3815	2.1910		2.1910	2.7794	2.7794	3.5391
F5	1.3450	2.3815	2.1910	2.1910		2.7794	3.5391	2.7794
F6	2.3815	1.3450	3.5391	2.7794	2.7794		2.1910	2.1910
F7	2.3815	1.3450	2.7794	2.7794	3.5391	2.1910		2.1910
F8	2.3815	1.3450	2.7794	3.5391	2.7794	2.1910	2.1910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.867	C1	C2	F7	109.867
C1	C2	F8	109.867	C2	C1	F3	109.867
C2	C1	F4	109.867	C2	C1	F5	109.867
F3	C1	F4	109.072	F3	C1	F5	109.072
F4	C1	F5	109.072	F6	C2	F7	109.072
F6	C2	F8	109.072	F7	C2	F8	109.072

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP2/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	0.620
2	C	0.620
3	F	-0.207
4	F	-0.207
5	F	-0.207
6	F	-0.207
7	F	-0.207
8	F	-0.207

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)