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	hartrees
Energy at 0K	-672.684940
Energy at 298.15K	-672.688158
HF Energy	-672.684940
Nuclear repulsion energy	470.409172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1585	1437	0.00
2	A_1g	892	809	0.00
3	A_1g	377	342	0.00
4	A_1u	76	69	0.00
5	A_2u	1235	1119	370.62
6	A_2u	787	714	49.02
7	E_g	1406	1274	0.00
7	E_g	1406	1274	0.00
8	E_g	681	617	0.00
8	E_g	681	617	0.00
9	E_g	419	380	0.00
9	E_g	419	380	0.00
10	E_u	1413	1280	635.12
10	E_u	1413	1280	635.12
11	E_u	575	521	7.29
11	E_u	575	521	7.29
12	E_u	234	212	3.31
12	E_u	234	212	3.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.769
C2	0.000	0.000	-0.769
F3	0.000	1.238	1.218
F4	-1.072	-0.619	1.218
F5	1.072	-0.619	1.218
F6	0.000	-1.238	-1.218
F7	-1.072	0.619	-1.218
F8	1.072	0.619	-1.218

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5381	1.3169	1.3169	1.3169	2.3414	2.3414	2.3414
C2	1.5381		2.3414	2.3414	2.3414	1.3169	1.3169	1.3169
F3	1.3169	2.3414		2.1440	2.1440	3.4738	2.7332	2.7332
F4	1.3169	2.3414	2.1440		2.1440	2.7332	2.7332	3.4738
F5	1.3169	2.3414	2.1440	2.1440		2.7332	3.4738	2.7332
F6	2.3414	1.3169	3.4738	2.7332	2.7332		2.1440	2.1440
F7	2.3414	1.3169	2.7332	2.7332	3.4738	2.1440		2.1440
F8	2.3414	1.3169	2.7332	3.4738	2.7332	2.1440	2.1440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.952	C1	C2	F7	109.952
C1	C2	F8	109.952	C2	C1	F3	109.952
C2	C1	F4	109.952	C2	C1	F5	109.952
F3	C1	F4	108.986	F3	C1	F5	108.986
F4	C1	F5	108.986	F6	C2	F7	108.986
F6	C2	F8	108.986	F7	C2	F8	108.986

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: HF/Def2TZVPP

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	0.658
2	C	0.658
3	F	-0.219
4	F	-0.219
5	F	-0.219
6	F	-0.219
7	F	-0.219
8	F	-0.219

<r²>	193.649
(<r²>)^1/2	13.916

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)