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	hartrees
Energy at 0K	-823.966175
Energy at 298.15K	-823.968133
HF Energy	-823.966175
Nuclear repulsion energy	743.071456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1665	1513	0.00
2	A_1g	609	553	0.00
3	A_2g	862	783	0.00
4	A_2u	248	226	10.12
5	B_1u	1463	1329	0.00
6	B_1u	638	580	0.00
7	B_2g	779	708	0.00
8	B_2g	203	184	0.00
9	B_2u	1191	1082	0.00
10	B_2u	301	273	0.00
11	E_1g	448	407	0.00
11	E_1g	448	407	0.00
12	E_1u	1706	1550	422.13
12	E_1u	1706	1550	422.13
13	E_1u	1107	1005	315.69
13	E_1u	1107	1005	315.69
14	E_1u	344	312	2.57
14	E_1u	344	312	2.57
15	E_2g	1852	1683	0.00
15	E_2g	1852	1683	0.00
16	E_2g	1280	1163	0.00
16	E_2g	1280	1163	0.00
17	E_2g	484	440	0.00
17	E_2g	484	440	0.00
18	E_2g	294	267	0.00
18	E_2g	294	267	0.00
19	E_2u	739	671	0.00
19	E_2u	739	671	0.00
20	E_2u	151	137	0.00
20	E_2u	151	137	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.377
C2	1.192	0.688
C3	1.192	-0.688
C4	0.000	-1.377
C5	-1.192	-0.688
C6	-1.192	0.688
F7	0.000	2.686
F8	2.326	1.343
F9	2.326	-1.343
F10	0.000	-2.686
F11	-2.326	-1.343
F12	-2.326	1.343

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3765	2.3842	2.7531	2.3842	1.3765	1.3094	2.3263	3.5786	4.0625	3.5786	2.3263
C2	1.3765		1.3765	2.3842	2.7531	2.3842	2.3263	1.3094	2.3263	3.5786	4.0625	3.5786
C3	2.3842	1.3765		1.3765	2.3842	2.7531	3.5786	2.3263	1.3094	2.3263	3.5786	4.0625
C4	2.7531	2.3842	1.3765		1.3765	2.3842	4.0625	3.5786	2.3263	1.3094	2.3263	3.5786
C5	2.3842	2.7531	2.3842	1.3765		1.3765	3.5786	4.0625	3.5786	2.3263	1.3094	2.3263
C6	1.3765	2.3842	2.7531	2.3842	1.3765		2.3263	3.5786	4.0625	3.5786	2.3263	1.3094
F7	1.3094	2.3263	3.5786	4.0625	3.5786	2.3263		2.6859	4.6522	5.3719	4.6522	2.6859
F8	2.3263	1.3094	2.3263	3.5786	4.0625	3.5786	2.6859		2.6859	4.6522	5.3719	4.6522
F9	3.5786	2.3263	1.3094	2.3263	3.5786	4.0625	4.6522	2.6859		2.6859	4.6522	5.3719
F10	4.0625	3.5786	2.3263	1.3094	2.3263	3.5786	5.3719	4.6522	2.6859		2.6859	4.6522
F11	3.5786	4.0625	3.5786	2.3263	1.3094	2.3263	4.6522	5.3719	4.6522	2.6859		2.6859
F12	2.3263	3.5786	4.0625	3.5786	2.3263	1.3094	2.6859	4.6522	5.3719	4.6522	2.6859

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: HF/6-311G**

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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Number	Element	Mulliken
1	C	0.263
2	C	0.263
3	C	0.263
4	C	0.263
5	C	0.263
6	C	0.263
7	F	-0.263
8	F	-0.263
9	F	-0.263
10	F	-0.263
11	F	-0.263
12	F	-0.263

<r²>	499.431
(<r²>)^1/2	22.348

All results from a given calculation for C6F6 (hexafluorobenzene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)