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	hartrees
Energy at 0K	-675.548495
Energy at 298.15K	-675.551244
HF Energy	-675.548495
Nuclear repulsion energy	460.899769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1378	1334	0.00
2	A_1g	800	774	0.00
3	A_1g	341	330	0.00
4	A_1u	68	66	0.00
5	A_2u	1103	1068	284.56
6	A_2u	707	684	34.26
7	E_g	1203	1164	0.00
7	E_g	1203	1164	0.00
8	E_g	609	589	0.00
8	E_g	609	589	0.00
9	E_g	374	362	0.00
9	E_g	374	362	0.00
10	E_u	1217	1177	551.75
10	E_u	1217	1177	551.79
11	E_u	515	498	3.33
11	E_u	515	498	3.33
12	E_u	214	207	2.27
12	E_u	214	207	2.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.772
C2	0.000	0.000	-0.772
F3	0.000	1.264	1.211
F4	-1.095	-0.632	1.211
F5	1.095	-0.632	1.211
F6	0.000	-1.264	-1.211
F7	-1.095	0.632	-1.211
F8	1.095	0.632	-1.211

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5438	1.3384	1.3384	1.3384	2.3516	2.3516	2.3516
C2	1.5438		2.3516	2.3516	2.3516	1.3384	1.3384	1.3384
F3	1.3384	2.3516		2.1898	2.1898	3.5013	2.7320	2.7320
F4	1.3384	2.3516	2.1898		2.1898	2.7320	2.7320	3.5013
F5	1.3384	2.3516	2.1898	2.1898		2.7320	3.5013	2.7320
F6	2.3516	1.3384	3.5013	2.7320	2.7320		2.1898	2.1898
F7	2.3516	1.3384	2.7320	2.7320	3.5013	2.1898		2.1898
F8	2.3516	1.3384	2.7320	3.5013	2.7320	2.1898	2.1898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.150	C1	C2	F7	109.150
C1	C2	F8	109.150	C2	C1	F3	109.150
C2	C1	F4	109.150	C2	C1	F5	109.150
F3	C1	F4	109.791	F3	C1	F5	109.791
F4	C1	F5	109.791	F6	C2	F7	109.791
F6	C2	F8	109.791	F7	C2	F8	109.791

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: B3LYP/aug-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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All results from a given calculation for C2F6 (hexafluoroethane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)