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	hartrees
Energy at 0K	-824.749409
Energy at 298.15K	-824.749712
HF Energy	-823.477957
Nuclear repulsion energy	715.059585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1466	1393	0.00
2	A_1g	537	510	0.00
3	A_2g	746	709	0.00
4	A_2u	200	190	13.09
5	B_1u	1312	1246	0.00
6	B_1u	580	551	0.00
7	B_2g	227	216	0.00
8	B_2g	110	105	0.00
9	B_2u	1360	1292	0.00
10	B_2u	265	252	0.00
11	E_1g	359	341	0.00
11	E_1g	359	341	0.00
12	E_1u	1514	1439	153.86
12	E_1u	1514	1439	153.86
13	E_1u	952	905	155.65
13	E_1u	952	905	155.65
14	E_1u	298	283	3.19
14	E_1u	298	283	3.19
15	E_2g	1663	1580	0.00
15	E_2g	1663	1580	0.00
16	E_2g	1125	1069	0.00
16	E_2g	1125	1069	0.00
17	E_2g	438	417	0.00
17	E_2g	438	417	0.00
18	E_2g	258	245	0.00
18	E_2g	258	245	0.00
19	E_2u	565	537	0.00
19	E_2u	565	537	0.00
20	E_2u	130	123	0.00
20	E_2u	130	123	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.404
C2	1.216	0.702
C3	1.216	-0.702
C4	0.000	-1.404
C5	-1.216	-0.702
C6	-1.216	0.702
F7	0.000	2.796
F8	2.421	1.398
F9	2.421	-1.398
F10	0.000	-2.796
F11	-2.421	-1.398
F12	-2.421	1.398

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.4037	2.4313	2.8074	2.4313	1.4037	1.3923	2.4214	3.7031	4.1997	3.7031	2.4214
C2	1.4037		1.4037	2.4313	2.8074	2.4313	2.4214	1.3923	2.4214	3.7031	4.1997	3.7031
C3	2.4313	1.4037		1.4037	2.4313	2.8074	3.7031	2.4214	1.3923	2.4214	3.7031	4.1997
C4	2.8074	2.4313	1.4037		1.4037	2.4313	4.1997	3.7031	2.4214	1.3923	2.4214	3.7031
C5	2.4313	2.8074	2.4313	1.4037		1.4037	3.7031	4.1997	3.7031	2.4214	1.3923	2.4214
C6	1.4037	2.4313	2.8074	2.4313	1.4037		2.4214	3.7031	4.1997	3.7031	2.4214	1.3923
F7	1.3923	2.4214	3.7031	4.1997	3.7031	2.4214		2.7960	4.8429	5.5921	4.8429	2.7960
F8	2.4214	1.3923	2.4214	3.7031	4.1997	3.7031	2.7960		2.7960	4.8429	5.5921	4.8429
F9	3.7031	2.4214	1.3923	2.4214	3.7031	4.1997	4.8429	2.7960		2.7960	4.8429	5.5921
F10	4.1997	3.7031	2.4214	1.3923	2.4214	3.7031	5.5921	4.8429	2.7960		2.7960	4.8429
F11	3.7031	4.1997	3.7031	2.4214	1.3923	2.4214	4.8429	5.5921	4.8429	2.7960		2.7960
F12	2.4214	3.7031	4.1997	3.7031	2.4214	1.3923	2.7960	4.8429	5.5921	4.8429	2.7960

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)