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	hartrees
Energy at 0K	-673.713108
Energy at 298.15K	-673.715967
HF Energy	-672.402750
Nuclear repulsion energy	462.463091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1490	1388	0.00
2	A_1g	822	766	0.00
3	A_1g	354	329	0.00
4	A_1u	77	72	0.00
5	A_2u	1148	1070	295.43
6	A_2u	715	666	44.37
7	E_g	1301	1212	0.00
7	E_g	1301	1212	0.00
8	E_g	625	582	0.00
8	E_g	625	582	0.00
9	E_g	384	358	0.00
9	E_g	384	358	0.00
10	E_u	1313	1223	554.60
10	E_u	1313	1223	554.63
11	E_u	522	486	6.53
11	E_u	522	486	6.52
12	E_u	218	203	2.95
12	E_u	218	203	2.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.762
C2	0.000	0.000	-0.762
F3	0.000	1.265	1.195
F4	-1.096	-0.633	1.195
F5	1.096	-0.633	1.195
F6	0.000	-1.265	-1.195
F7	-1.096	0.633	-1.195
F8	1.096	0.633	-1.195

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5231	1.3373	1.3373	1.3373	2.3299	2.3299	2.3299
C2	1.5231		2.3299	2.3299	2.3299	1.3373	1.3373	1.3373
F3	1.3373	2.3299		2.1914	2.1914	3.4805	2.7040	2.7040
F4	1.3373	2.3299	2.1914		2.1914	2.7040	2.7040	3.4805
F5	1.3373	2.3299	2.1914	2.1914		2.7040	3.4805	2.7040
F6	2.3299	1.3373	3.4805	2.7040	2.7040		2.1914	2.1914
F7	2.3299	1.3373	2.7040	2.7040	3.4805	2.1914		2.1914
F8	2.3299	1.3373	2.7040	3.4805	2.7040	2.1914	2.1914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.905	C1	C2	F7	108.905
C1	C2	F8	108.905	C2	C1	F3	108.905
C2	C1	F4	108.905	C2	C1	F5	108.905
F3	C1	F4	110.031	F3	C1	F5	110.031
F4	C1	F5	110.031	F6	C2	F7	110.031
F6	C2	F8	110.031	F7	C2	F8	110.031

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)