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	hartrees
Energy at 0K	-825.633034
Energy at 298.15K
HF Energy	-823.781388
Nuclear repulsion energy	730.083880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1531	1438	0.00
2	A_1g	562	527	0.00
3	A_2g	779	732	0.00
4	A_2u	216	203	6.33
5	B_1u	1335	1254	0.00
6	B_1u	599	562	0.00
7	B_2g	193	181	0.00
8	B_2g	526i	494i	0.00
9	B_2u	1447	1359	0.00
10	B_2u	274	257	0.00
11	E_1g	371	349	0.00
11	E_1g	371	349	0.00
12	E_1u	1567	1472	345.86
12	E_1u	1567	1472	345.86
13	E_1u	1013	951	236.68
13	E_1u	1013	951	236.68
14	E_1u	313	294	1.69
14	E_1u	313	294	1.69
15	E_2g	1705	1602	0.00
15	E_2g	1705	1602	0.00
16	E_2g	1174	1102	0.00
16	E_2g	1174	1102	0.00
17	E_2g	445	418	0.00
17	E_2g	445	418	0.00
18	E_2g	263	247	0.00
18	E_2g	263	247	0.00
19	E_2u	583	547	0.00
19	E_2u	583	547	0.00
20	E_2u	135	127	0.00
20	E_2u	135	127	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.392
C2	1.206	0.696
C3	1.206	-0.696
C4	0.000	-1.392
C5	-1.206	-0.696
C6	-1.206	0.696
F7	0.000	2.735
F8	2.369	1.368
F9	2.369	-1.368
F10	0.000	-2.735
F11	-2.369	-1.368
F12	-2.369	1.368

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3924	2.4117	2.7848	2.4117	1.3924	1.3428	2.3689	3.6371	4.1276	3.6371	2.3689
C2	1.3924		1.3924	2.4117	2.7848	2.4117	2.3689	1.3428	2.3689	3.6371	4.1276	3.6371
C3	2.4117	1.3924		1.3924	2.4117	2.7848	3.6371	2.3689	1.3428	2.3689	3.6371	4.1276
C4	2.7848	2.4117	1.3924		1.3924	2.4117	4.1276	3.6371	2.3689	1.3428	2.3689	3.6371
C5	2.4117	2.7848	2.4117	1.3924		1.3924	3.6371	4.1276	3.6371	2.3689	1.3428	2.3689
C6	1.3924	2.4117	2.7848	2.4117	1.3924		2.3689	3.6371	4.1276	3.6371	2.3689	1.3428
F7	1.3428	2.3689	3.6371	4.1276	3.6371	2.3689		2.7352	4.7375	5.4704	4.7375	2.7352
F8	2.3689	1.3428	2.3689	3.6371	4.1276	3.6371	2.7352		2.7352	4.7375	5.4704	4.7375
F9	3.6371	2.3689	1.3428	2.3689	3.6371	4.1276	4.7375	2.7352		2.7352	4.7375	5.4704
F10	4.1276	3.6371	2.3689	1.3428	2.3689	3.6371	5.4704	4.7375	2.7352		2.7352	4.7375
F11	3.6371	4.1276	3.6371	2.3689	1.3428	2.3689	4.7375	5.4704	4.7375	2.7352		2.7352
F12	2.3689	3.6371	4.1276	3.6371	2.3689	1.3428	2.7352	4.7375	5.4704	4.7375	2.7352

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/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)