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	hartrees
Energy at 0K	-674.445947
Energy at 298.15K	-674.448837
HF Energy	-672.643962
Nuclear repulsion energy	464.059853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1469	1395	0.00
2	A_1g	821	780	0.00
3	A_1g	356	338	0.00
4	A_1u	72	69	0.00
5	A_2u	1142	1085	281.85
6	A_2u	724	687	35.34
7	E_g	1266	1202	0.00
7	E_g	1266	1202	0.00
8	E_g	628	596	0.00
8	E_g	628	596	0.00
9	E_g	385	365	0.00
9	E_g	385	365	0.00
10	E_u	1286	1221	546.52
10	E_u	1286	1221	546.52
11	E_u	529	502	4.46
11	E_u	529	502	4.46
12	E_u	218	207	2.66
12	E_u	218	207	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.770
C2	0.000	0.000	-0.770
F3	0.000	1.250	1.219
F4	-1.082	-0.625	1.219
F5	1.082	-0.625	1.219
F6	0.000	-1.250	-1.219
F7	-1.082	0.625	-1.219
F8	1.082	0.625	-1.219

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5405	1.3276	1.3276	1.3276	2.3489	2.3489	2.3489
C2	1.5405		2.3489	2.3489	2.3489	1.3276	1.3276	1.3276
F3	1.3276	2.3489		2.1643	2.1643	3.4910	2.7391	2.7391
F4	1.3276	2.3489	2.1643		2.1643	2.7391	2.7391	3.4910
F5	1.3276	2.3489	2.1643	2.1643		2.7391	3.4910	2.7391
F6	2.3489	1.3276	3.4910	2.7391	2.7391		2.1643	2.1643
F7	2.3489	1.3276	2.7391	2.7391	3.4910	2.1643		2.1643
F8	2.3489	1.3276	2.7391	3.4910	2.7391	2.1643	2.1643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.744	C1	C2	F7	109.744
C1	C2	F8	109.744	C2	C1	F3	109.744
C2	C1	F4	109.744	C2	C1	F5	109.744
F3	C1	F4	109.197	F3	C1	F5	109.197
F4	C1	F5	109.197	F6	C2	F7	109.197
F6	C2	F8	109.197	F7	C2	F8	109.197

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP2/cc-pVTZ

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	0.423
2	C	0.423
3	F	-0.141
4	F	-0.141
5	F	-0.141
6	F	-0.141
7	F	-0.141
8	F	-0.141

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)