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	hartrees
Energy at 0K	-673.418045
Energy at 298.15K	-673.421050
HF Energy	-672.383723
Nuclear repulsion energy	467.001533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1588	1467	0.00
2	A_1g	864	798	0.00
3	A_1g	370	342	0.00
4	A_1u	71	65	0.00
5	A_2u	1214	1122	324.90
6	A_2u	748	691	47.83
7	E_g	1386	1280	0.00
7	E_g	1386	1280	0.00
8	E_g	655	605	0.00
8	E_g	655	605	0.00
9	E_g	400	370	0.00
9	E_g	400	370	0.00
10	E_u	1396	1290	571.78
10	E_u	1396	1290	571.78
11	E_u	545	503	7.52
11	E_u	545	503	7.52
12	E_u	224	207	3.35
12	E_u	224	207	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.762
C2	0.000	0.000	-0.762
F3	0.000	1.244	1.207
F4	-1.077	-0.622	1.207
F5	1.077	-0.622	1.207
F6	0.000	-1.244	-1.207
F7	-1.077	0.622	-1.207
F8	1.077	0.622	-1.207

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5231	1.3214	1.3214	1.3214	2.3290	2.3290	2.3290
C2	1.5231		2.3290	2.3290	2.3290	1.3214	1.3214	1.3214
F3	1.3214	2.3290		2.1546	2.1546	3.4671	2.7163	2.7163
F4	1.3214	2.3290	2.1546		2.1546	2.7163	2.7163	3.4671
F5	1.3214	2.3290	2.1546	2.1546		2.7163	3.4671	2.7163
F6	2.3290	1.3214	3.4671	2.7163	2.7163		2.1546	2.1546
F7	2.3290	1.3214	2.7163	2.7163	3.4671	2.1546		2.1546
F8	2.3290	1.3214	2.7163	3.4671	2.7163	2.1546	2.1546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.717	C1	C2	F7	109.717
C1	C2	F8	109.717	C2	C1	F3	109.717
C2	C1	F4	109.717	C2	C1	F5	109.717
F3	C1	F4	109.224	F3	C1	F5	109.224
F4	C1	F5	109.224	F6	C2	F7	109.224
F6	C2	F8	109.224	F7	C2	F8	109.224

All results from a given calculation for C₂F₆ (hexafluoroethane)

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

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)