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	hartrees
Energy at 0K	-672.565121
Energy at 298.15K	-672.568341
Nuclear repulsion energy	470.593072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1611	1464	0.00
2	A_1g	891	810	0.00
3	A_1g	379	344	0.00
4	A_1u	73	66	0.00
5	A_2u	1232	1120	404.03
6	A_2u	784	712	52.88
7	E_g	1407	1279	0.00
7	E_g	1407	1279	0.00
8	E_g	679	616	0.00
8	E_g	679	616	0.00
9	E_g	420	382	0.00
9	E_g	420	382	0.00
10	E_u	1415	1285	694.04
10	E_u	1415	1285	694.04
11	E_u	573	521	8.92
11	E_u	573	521	8.92
12	E_u	235	213	4.35
12	E_u	235	213	4.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.765
C2	0.000	0.000	-0.765
F3	0.000	1.229	1.207
F4	-1.064	-0.614	1.207
F5	1.064	-0.614	1.207
F6	0.000	-1.229	-1.207
F7	-1.064	0.614	-1.207
F8	1.064	0.614	-1.207

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5294	1.3061	1.3061	1.3061	2.3235	2.3235	2.3235
C2	1.5294		2.3235	2.3235	2.3235	1.3061	1.3061	1.3061
F3	1.3061	2.3235		2.1285	2.1285	3.4453	2.7092	2.7092
F4	1.3061	2.3235	2.1285		2.1285	2.7092	2.7092	3.4453
F5	1.3061	2.3235	2.1285	2.1285		2.7092	3.4453	2.7092
F6	2.3235	1.3061	3.4453	2.7092	2.7092		2.1285	2.1285
F7	2.3235	1.3061	2.7092	2.7092	3.4453	2.1285		2.1285
F8	2.3235	1.3061	2.7092	3.4453	2.7092	2.1285	2.1285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.803	C1	C2	F7	109.803
C1	C2	F8	109.803	C2	C1	F3	109.803
C2	C1	F4	109.803	C2	C1	F5	109.803
F3	C1	F4	109.137	F3	C1	F5	109.137
F4	C1	F5	109.137	F6	C2	F7	109.137
F6	C2	F8	109.137	F7	C2	F8	109.137

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: HF/6-311G**

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	0.773
2	C	0.773
3	F	-0.258
4	F	-0.258
5	F	-0.258
6	F	-0.258
7	F	-0.258
8	F	-0.258

<r²>	193.353
(<r²>)^1/2	13.905

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)