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	hartrees
Energy at 0K	-825.078662
Energy at 298.15K	-825.080126
HF Energy	-823.753257
Nuclear repulsion energy	739.420811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1656	1530	0.00
2	A_1g	605	559	0.00
3	A_2g	832	769	0.00
4	A_2u	236	218	9.98
5	B_1u	1456	1345	0.00
6	B_1u	628	580	0.00
7	B_2g	522	483	0.00
8	B_2g	193	178	0.00
9	B_2u	1285	1187	0.00
10	B_2u	285	263	0.00
11	E_1g	420	388	0.00
11	E_1g	420	388	0.00
12	E_1u	1695	1566	363.05
12	E_1u	1695	1566	363.05
13	E_1u	1093	1010	251.19
13	E_1u	1093	1010	251.19
14	E_1u	332	307	2.36
14	E_1u	332	307	2.36
15	E_2g	1837	1696	0.00
15	E_2g	1837	1696	0.00
16	E_2g	1276	1179	0.00
16	E_2g	1276	1179	0.00
17	E_2g	472	436	0.00
17	E_2g	472	436	0.00
18	E_2g	278	257	0.00
18	E_2g	278	257	0.00
19	E_2u	663	613	0.00
19	E_2u	663	613	0.00
20	E_2u	147	136	0.00
20	E_2u	147	136	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.379
C2	1.194	0.689
C3	1.194	-0.689
C4	0.000	-1.379
C5	-1.194	-0.689
C6	-1.194	0.689
F7	0.000	2.700
F8	2.338	1.350
F9	2.338	-1.350
F10	0.000	-2.700
F11	-2.338	-1.350
F12	-2.338	1.350

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3786	2.3877	2.7571	2.3877	1.3786	1.3215	2.3385	3.5934	4.0786	3.5934	2.3385
C2	1.3786		1.3786	2.3877	2.7571	2.3877	2.3385	1.3215	2.3385	3.5934	4.0786	3.5934
C3	2.3877	1.3786		1.3786	2.3877	2.7571	3.5934	2.3385	1.3215	2.3385	3.5934	4.0786
C4	2.7571	2.3877	1.3786		1.3786	2.3877	4.0786	3.5934	2.3385	1.3215	2.3385	3.5934
C5	2.3877	2.7571	2.3877	1.3786		1.3786	3.5934	4.0786	3.5934	2.3385	1.3215	2.3385
C6	1.3786	2.3877	2.7571	2.3877	1.3786		2.3385	3.5934	4.0786	3.5934	2.3385	1.3215
F7	1.3215	2.3385	3.5934	4.0786	3.5934	2.3385		2.7000	4.6766	5.4000	4.6766	2.7000
F8	2.3385	1.3215	2.3385	3.5934	4.0786	3.5934	2.7000		2.7000	4.6766	5.4000	4.6766
F9	3.5934	2.3385	1.3215	2.3385	3.5934	4.0786	4.6766	2.7000		2.7000	4.6766	5.4000
F10	4.0786	3.5934	2.3385	1.3215	2.3385	3.5934	5.4000	4.6766	2.7000		2.7000	4.6766
F11	3.5934	4.0786	3.5934	2.3385	1.3215	2.3385	4.6766	5.4000	4.6766	2.7000		2.7000
F12	2.3385	3.5934	4.0786	3.5934	2.3385	1.3215	2.7000	4.6766	5.4000	4.6766	2.7000

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: 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 C6F6 (hexafluorobenzene)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)