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	hartrees
Energy at 0K	-673.669827
Energy at 298.15K	-673.672617
HF Energy	-672.379447
Nuclear repulsion energy	461.884825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1507	1435	0.00
2	A_1g	817	778	0.00
3	A_1g	355	338	0.00
4	A_1u	66	63	0.00
5	A_2u	1156	1101	289.09
6	A_2u	709	675	41.24
7	E_g	1315	1252	0.00
7	E_g	1315	1252	0.00
8	E_g	624	594	0.00
8	E_g	624	594	0.00
9	E_g	381	362	0.00
9	E_g	381	362	0.00
10	E_u	1323	1260	513.29
10	E_u	1323	1260	513.29
11	E_u	518	494	6.14
11	E_u	518	494	6.14
12	E_u	215	204	2.95
12	E_u	215	204	2.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.766
C2	0.000	0.000	-0.766
F3	0.000	1.259	1.218
F4	-1.091	-0.630	1.218
F5	1.091	-0.630	1.218
F6	0.000	-1.259	-1.218
F7	-1.091	0.630	-1.218
F8	1.091	0.630	-1.218

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5320	1.3382	1.3382	1.3382	2.3500	2.3500	2.3500
C2	1.5320		2.3500	2.3500	2.3500	1.3382	1.3382	1.3382
F3	1.3382	2.3500		2.1815	2.1815	3.5042	2.7424	2.7424
F4	1.3382	2.3500	2.1815		2.1815	2.7424	2.7424	3.5042
F5	1.3382	2.3500	2.1815	2.1815		2.7424	3.5042	2.7424
F6	2.3500	1.3382	3.5042	2.7424	2.7424		2.1815	2.1815
F7	2.3500	1.3382	2.7424	2.7424	3.5042	2.1815		2.1815
F8	2.3500	1.3382	2.7424	3.5042	2.7424	2.1815	2.1815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.743	C1	C2	F7	109.743
C1	C2	F8	109.743	C2	C1	F3	109.743
C2	C1	F4	109.743	C2	C1	F5	109.743
F3	C1	F4	109.199	F3	C1	F5	109.199
F4	C1	F5	109.199	F6	C2	F7	109.199
F6	C2	F8	109.199	F7	C2	F8	109.199

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: QCISD/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	1.052
2	C	1.052
3	F	-0.351
4	F	-0.351
5	F	-0.351
6	F	-0.351
7	F	-0.351
8	F	-0.351

<r²>	198.608
(<r²>)^1/2	14.093

All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)