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	hartrees
Energy at 0K	-826.185864
Energy at 298.15K	-826.186795
HF Energy	-823.961621
Nuclear repulsion energy	733.027192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1541	1461	0.00
2	A_1g	565	536	0.00
3	A_2g	773	734	0.00
4	A_2u	222	211	4.60
5	B_1u	1342	1273	0.00
6	B_1u	597	567	0.00
7	B_2g	358	340	0.00
8	B_2g	133	126	0.00
9	B_2u	1443	1369	0.00
10	B_2u	278	264	0.00
11	E_1g	390	370	0.00
11	E_1g	390	370	0.00
12	E_1u	1574	1493	345.58
12	E_1u	1574	1493	345.58
13	E_1u	1026	973	238.50
13	E_1u	1026	973	238.50
14	E_1u	316	299	1.46
14	E_1u	316	299	1.46
15	E_2g	1703	1616	0.00
15	E_2g	1703	1616	0.00
16	E_2g	1187	1126	0.00
16	E_2g	1187	1126	0.00
17	E_2g	445	422	0.00
17	E_2g	445	422	0.00
18	E_2g	268	254	0.00
18	E_2g	268	254	0.00
19	E_2u	629	597	0.00
19	E_2u	629	597	0.00
20	E_2u	135	129	0.00
20	E_2u	135	129	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.393
C2	1.206	0.696
C3	1.206	-0.696
C4	0.000	-1.393
C5	-1.206	-0.696
C6	-1.206	0.696
F7	0.000	2.723
F8	2.358	1.362
F9	2.358	-1.362
F10	0.000	-2.723
F11	-2.358	-1.362
F12	-2.358	1.362

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.3928	2.4124	2.7856	2.4124	1.3928	1.3304	2.3586	3.6261	4.1160	3.6261	2.3586
C2	1.3928		1.3928	2.4124	2.7856	2.4124	2.3586	1.3304	2.3586	3.6261	4.1160	3.6261
C3	2.4124	1.3928		1.3928	2.4124	2.7856	3.6261	2.3586	1.3304	2.3586	3.6261	4.1160
C4	2.7856	2.4124	1.3928		1.3928	2.4124	4.1160	3.6261	2.3586	1.3304	2.3586	3.6261
C5	2.4124	2.7856	2.4124	1.3928		1.3928	3.6261	4.1160	3.6261	2.3586	1.3304	2.3586
C6	1.3928	2.4124	2.7856	2.4124	1.3928		2.3586	3.6261	4.1160	3.6261	2.3586	1.3304
F7	1.3304	2.3586	3.6261	4.1160	3.6261	2.3586		2.7232	4.7167	5.4464	4.7167	2.7232
F8	2.3586	1.3304	2.3586	3.6261	4.1160	3.6261	2.7232		2.7232	4.7167	5.4464	4.7167
F9	3.6261	2.3586	1.3304	2.3586	3.6261	4.1160	4.7167	2.7232		2.7232	4.7167	5.4464
F10	4.1160	3.6261	2.3586	1.3304	2.3586	3.6261	5.4464	4.7167	2.7232		2.7232	4.7167
F11	3.6261	4.1160	3.6261	2.3586	1.3304	2.3586	4.7167	5.4464	4.7167	2.7232		2.7232
F12	2.3586	3.6261	4.1160	3.6261	2.3586	1.3304	2.7232	4.7167	5.4464	4.7167	2.7232

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/6-311G**

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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All results from a given calculation for C6F6 (hexafluorobenzene)

using model chemistry: MP2=FULL/6-311G**

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)