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	hartrees
Energy at 0K	-673.163313
Energy at 298.15K	-673.165515
HF Energy	-672.289687
Nuclear repulsion energy	442.407888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1309	1264	0.00
2	A_1g	701	676	0.00
3	A_1g	322	311	0.00
4	A_1u	60	58	0.00
5	A_2u	1001	966	267.84
6	A_2u	612	591	46.86
7	E_g	1085	1048	0.00
7	E_g	1085	1048	0.00
8	E_g	549	530	0.00
8	E_g	549	530	0.00
9	E_g	334	322	0.00
9	E_g	334	322	0.00
10	E_u	1106	1067	467.05
10	E_u	1106	1067	467.05
11	E_u	450	434	10.44
11	E_u	450	434	10.44
12	E_u	201	194	5.78
12	E_u	201	194	5.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.785
C2	0.000	0.000	-0.785
F3	0.000	1.317	1.270
F4	-1.140	-0.658	1.270
F5	1.140	-0.658	1.270
F6	0.000	-1.317	-1.270
F7	-1.140	0.658	-1.270
F8	1.140	0.658	-1.270

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5696	1.4031	1.4031	1.4031	2.4404	2.4404	2.4404
C2	1.5696		2.4404	2.4404	2.4404	1.4031	1.4031	1.4031
F3	1.4031	2.4404		2.2804	2.2804	3.6585	2.8608	2.8608
F4	1.4031	2.4404	2.2804		2.2804	2.8608	2.8608	3.6585
F5	1.4031	2.4404	2.2804	2.2804		2.8608	3.6585	2.8608
F6	2.4404	1.4031	3.6585	2.8608	2.8608		2.2804	2.2804
F7	2.4404	1.4031	2.8608	2.8608	3.6585	2.2804		2.2804
F8	2.4404	1.4031	2.8608	3.6585	2.8608	2.2804	2.2804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.227	C1	C2	F7	110.227
C1	C2	F8	110.227	C2	C1	F3	110.227
C2	C1	F4	110.227	C2	C1	F5	110.227
F3	C1	F4	108.705	F3	C1	F5	108.705
F4	C1	F5	108.705	F6	C2	F7	108.705
F6	C2	F8	108.705	F7	C2	F8	108.705

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP2/SDD

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	0.629
2	C	0.629
3	F	-0.210
4	F	-0.210
5	F	-0.210
6	F	-0.210
7	F	-0.210
8	F	-0.210

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)