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	hartrees
Energy at 0K	-825.561321
Energy at 298.15K	-825.561942
HF Energy	-823.748416
Nuclear repulsion energy	731.158192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1553	1463	0.00
2	A_1g	568	535	0.00
3	A_2g	779	734	0.00
4	A_2u	217	205	6.05
5	B_1u	1364	1285	0.00
6	B_1u	600	566	0.00
7	B_2g	272	256	0.00
8	B_2g	120	113	0.00
9	B_2u	1451	1367	0.00
10	B_2u	265	250	0.00
11	E_1g	379	357	0.00
11	E_1g	379	357	0.00
12	E_1u	1589	1497	311.29
12	E_1u	1589	1497	311.29
13	E_1u	1027	968	209.49
13	E_1u	1027	968	209.49
14	E_1u	311	293	1.65
14	E_1u	311	293	1.65
15	E_2g	1720	1620	0.00
15	E_2g	1720	1620	0.00
16	E_2g	1199	1130	0.00
16	E_2g	1199	1130	0.00
17	E_2g	446	420	0.00
17	E_2g	446	420	0.00
18	E_2g	257	242	0.00
18	E_2g	257	242	0.00
19	E_2u	596	561	0.00
19	E_2u	596	561	0.00
20	E_2u	137	129	0.00
20	E_2u	137	129	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.391
C2	1.205	0.696
C3	1.205	-0.696
C4	0.000	-1.391
C5	-1.205	-0.696
C6	-1.205	0.696
F7	0.000	2.731
F8	2.365	1.366
F9	2.365	-1.366
F10	0.000	-2.731
F11	-2.365	-1.366
F12	-2.365	1.366

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3913	2.4097	2.7825	2.4097	1.3913	1.3398	2.3653	3.6323	4.1223	3.6323	2.3653
C2	1.3913		1.3913	2.4097	2.7825	2.4097	2.3653	1.3398	2.3653	3.6323	4.1223	3.6323
C3	2.4097	1.3913		1.3913	2.4097	2.7825	3.6323	2.3653	1.3398	2.3653	3.6323	4.1223
C4	2.7825	2.4097	1.3913		1.3913	2.4097	4.1223	3.6323	2.3653	1.3398	2.3653	3.6323
C5	2.4097	2.7825	2.4097	1.3913		1.3913	3.6323	4.1223	3.6323	2.3653	1.3398	2.3653
C6	1.3913	2.4097	2.7825	2.4097	1.3913		2.3653	3.6323	4.1223	3.6323	2.3653	1.3398
F7	1.3398	2.3653	3.6323	4.1223	3.6323	2.3653		2.7310	4.7303	5.4620	4.7303	2.7310
F8	2.3653	1.3398	2.3653	3.6323	4.1223	3.6323	2.7310		2.7310	4.7303	5.4620	4.7303
F9	3.6323	2.3653	1.3398	2.3653	3.6323	4.1223	4.7303	2.7310		2.7310	4.7303	5.4620
F10	4.1223	3.6323	2.3653	1.3398	2.3653	3.6323	5.4620	4.7303	2.7310		2.7310	4.7303
F11	3.6323	4.1223	3.6323	2.3653	1.3398	2.3653	4.7303	5.4620	4.7303	2.7310		2.7310
F12	2.3653	3.6323	4.1223	3.6323	2.3653	1.3398	2.7310	4.7303	5.4620	4.7303	2.7310

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=FULL/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=FULL/6-31G*

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)