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	hartrees
Energy at 0K	-673.652380
Energy at 298.15K	-673.655144
HF Energy	-672.378756
Nuclear repulsion energy	461.533676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1501	1416	0.00
2	A_1g	813	767	0.00
3	A_1g	354	334	0.00
4	A_1u	65	62	0.00
5	A_2u	1150	1085	285.04
6	A_2u	706	666	38.89
7	E_g	1292	1218	0.00
7	E_g	1292	1218	0.00
8	E_g	621	586	0.00
8	E_g	621	586	0.00
9	E_g	378	357	0.00
9	E_g	378	357	0.00
10	E_u	1305	1231	521.46
10	E_u	1305	1231	521.46
11	E_u	516	486	5.41
11	E_u	516	486	5.41
12	E_u	213	201	2.86
12	E_u	213	201	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.760
C2	0.000	0.000	-0.760
F3	0.000	1.271	1.192
F4	-1.101	-0.636	1.192
F5	1.101	-0.636	1.192
F6	0.000	-1.271	-1.192
F7	-1.101	0.636	-1.192
F8	1.101	0.636	-1.192

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5195	1.3428	1.3428	1.3428	2.3295	2.3295	2.3295
C2	1.5195		2.3295	2.3295	2.3295	1.3428	1.3428	1.3428
F3	1.3428	2.3295		2.2018	2.2018	3.4858	2.7024	2.7024
F4	1.3428	2.3295	2.2018		2.2018	2.7024	2.7024	3.4858
F5	1.3428	2.3295	2.2018	2.2018		2.7024	3.4858	2.7024
F6	2.3295	1.3428	3.4858	2.7024	2.7024		2.2018	2.2018
F7	2.3295	1.3428	2.7024	2.7024	3.4858	2.2018		2.2018
F8	2.3295	1.3428	2.7024	3.4858	2.7024	2.2018	2.2018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.795	C1	C2	F7	108.795
C1	C2	F8	108.795	C2	C1	F3	108.795
C2	C1	F4	108.795	C2	C1	F5	108.795
F3	C1	F4	110.139	F3	C1	F5	110.139
F4	C1	F5	110.139	F6	C2	F7	110.139
F6	C2	F8	110.139	F7	C2	F8	110.139

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)