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	hartrees
Energy at 0K	-825.515403
Energy at 298.15K
HF Energy	-823.747553
Nuclear repulsion energy	730.258449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1549	1460	0.00
2	A_1g	567	535	0.00
3	A_2g	775	731	0.00
4	A_2u	213	201	6.09
5	B_1u	1361	1284	0.00
6	B_1u	599	564	0.00
7	B_2g	207	195	0.00
8	B_2g	235i	222i	0.00
9	B_2u	1448	1365	0.00
10	B_2u	264	249	0.00
11	E_1g	368	347	0.00
11	E_1g	368	347	0.00
12	E_1u	1585	1495	310.26
12	E_1u	1585	1495	310.26
13	E_1u	1024	966	209.48
13	E_1u	1024	966	209.48
14	E_1u	310	292	1.66
14	E_1u	310	292	1.66
15	E_2g	1716	1618	0.00
15	E_2g	1716	1618	0.00
16	E_2g	1195	1127	0.00
16	E_2g	1195	1127	0.00
17	E_2g	445	419	0.00
17	E_2g	445	419	0.00
18	E_2g	256	242	0.00
18	E_2g	256	242	0.00
19	E_2u	566	533	0.00
19	E_2u	566	533	0.00
20	E_2u	136	128	0.00
20	E_2u	136	128	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.388
C2	1.202	0.694
C3	1.202	-0.694
C4	0.000	-1.388
C5	-1.202	-0.694
C6	-1.202	0.694
F7	0.000	2.738
F8	2.372	1.369
F9	2.372	-1.369
F10	0.000	-2.738
F11	-2.372	-1.369
F12	-2.372	1.369

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3882	2.4045	2.7765	2.4045	1.3882	1.3502	2.3716	3.6370	4.1267	3.6370	2.3716
C2	1.3882		1.3882	2.4045	2.7765	2.4045	2.3716	1.3502	2.3716	3.6370	4.1267	3.6370
C3	2.4045	1.3882		1.3882	2.4045	2.7765	3.6370	2.3716	1.3502	2.3716	3.6370	4.1267
C4	2.7765	2.4045	1.3882		1.3882	2.4045	4.1267	3.6370	2.3716	1.3502	2.3716	3.6370
C5	2.4045	2.7765	2.4045	1.3882		1.3882	3.6370	4.1267	3.6370	2.3716	1.3502	2.3716
C6	1.3882	2.4045	2.7765	2.4045	1.3882		2.3716	3.6370	4.1267	3.6370	2.3716	1.3502
F7	1.3502	2.3716	3.6370	4.1267	3.6370	2.3716		2.7384	4.7431	5.4769	4.7431	2.7384
F8	2.3716	1.3502	2.3716	3.6370	4.1267	3.6370	2.7384		2.7385	4.7431	5.4769	4.7431
F9	3.6370	2.3716	1.3502	2.3716	3.6370	4.1267	4.7431	2.7385		2.7384	4.7431	5.4769
F10	4.1267	3.6370	2.3716	1.3502	2.3716	3.6370	5.4769	4.7431	2.7384		2.7384	4.7431
F11	3.6370	4.1267	3.6370	2.3716	1.3502	2.3716	4.7431	5.4769	4.7431	2.7384		2.7385
F12	2.3716	3.6370	4.1267	3.6370	2.3716	1.3502	2.7384	4.7431	5.4769	4.7431	2.7385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.000	C1	C2	F8	120.000
C1	C6	C5	120.000	C1	C6	F12	120.000
C2	C1	C6	120.000	C2	C1	F7	120.000
C2	C3	C4	120.000	C2	C3	F9	120.000
C3	C2	F8	120.000	C3	C4	C5	120.000
C3	C4	F10	120.000	C4	C3	F9	120.000
C4	C5	C6	120.000	C4	C5	F11	120.000
C5	C4	F10	120.000	C5	C6	F12	120.000
C6	C1	F7	120.000	C6	C5	F11	120.000

All results from a given calculation for C₆F₆ (hexafluorobenzene)

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 C6F6 (hexafluorobenzene)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)