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	hartrees
Energy at 0K	-673.677316
Energy at 298.15K	-673.680094
HF Energy	-672.379349
Nuclear repulsion energy	462.150199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1505	1418	0.00
2	A_1g	815	768	0.00
3	A_1g	354	334	0.00
4	A_1u	68	64	0.00
5	A_2u	1153	1087	283.68
6	A_2u	707	666	39.05
7	E_g	1293	1219	0.00
7	E_g	1293	1219	0.00
8	E_g	622	586	0.00
8	E_g	622	586	0.00
9	E_g	380	358	0.00
9	E_g	380	358	0.00
10	E_u	1308	1233	521.66
10	E_u	1308	1233	521.66
11	E_u	517	487	5.44
11	E_u	517	487	5.44
12	E_u	214	201	2.89
12	E_u	214	201	2.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
F3	0.000	1.260	1.215
F4	-1.091	-0.630	1.215
F5	1.091	-0.630	1.215
F6	0.000	-1.260	-1.215
F7	-1.091	0.630	-1.215
F8	1.091	0.630	-1.215

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5279	1.3385	1.3385	1.3385	2.3460	2.3460	2.3460
C2	1.5279		2.3460	2.3460	2.3460	1.3385	1.3385	1.3385
F3	1.3385	2.3460		2.1829	2.1829	3.5010	2.7371	2.7371
F4	1.3385	2.3460	2.1829		2.1829	2.7371	2.7371	3.5010
F5	1.3385	2.3460	2.1829	2.1829		2.7371	3.5010	2.7371
F6	2.3460	1.3385	3.5010	2.7371	2.7371		2.1829	2.1829
F7	2.3460	1.3385	2.7371	2.7371	3.5010	2.1829		2.1829
F8	2.3460	1.3385	2.7371	3.5010	2.7371	2.1829	2.1829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.686	C1	C2	F7	109.686
C1	C2	F8	109.686	C2	C1	F3	109.686
C2	C1	F4	109.686	C2	C1	F5	109.686
F3	C1	F4	109.255	F3	C1	F5	109.255
F4	C1	F5	109.255	F6	C2	F7	109.255
F6	C2	F8	109.255	F7	C2	F8	109.255

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP2=FULL/6-31G*

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	0.810
2	C	0.810
3	F	-0.270
4	F	-0.270
5	F	-0.270
6	F	-0.270
7	F	-0.270
8	F	-0.270

<r²>	198.104
(<r²>)^1/2	14.075

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)