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	hartrees
Energy at 0K	-824.848285
Energy at 298.15K
HF Energy	-823.651009
Nuclear repulsion energy	709.786010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1410	1361	0.00
2	A_1g	511	493	0.00
3	A_2g	725	700	0.00
4	A_2u	199	193	11.32
5	B_1u	1213	1171	0.00
6	B_1u	562	543	0.00
7	B_2g	251	242	0.00
8	B_2g	151i	146i	0.00
9	B_2u	1331	1285	0.00
10	B_2u	262	253	0.00
11	E_1g	369	356	0.00
11	E_1g	369	356	0.00
12	E_1u	1459	1408	184.52
12	E_1u	1459	1408	184.52
13	E_1u	904	873	175.32
13	E_1u	904	873	175.32
14	E_1u	291	281	3.56
14	E_1u	291	281	3.56
15	E_2g	1629	1572	0.00
15	E_2g	1629	1572	0.00
16	E_2g	1058	1022	0.00
16	E_2g	1058	1022	0.00
17	E_2g	430	415	0.00
17	E_2g	430	415	0.00
18	E_2g	254	245	0.00
18	E_2g	254	245	0.00
19	E_2u	602	581	0.00
19	E_2u	602	581	0.00
20	E_2u	125	120	0.00
20	E_2u	125	120	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.415
C2	1.226	0.708
C3	1.226	-0.708
C4	0.000	-1.415
C5	-1.226	-0.708
C6	-1.226	0.708
F7	0.000	2.817
F8	2.439	1.408
F9	2.439	-1.408
F10	0.000	-2.817
F11	-2.439	-1.408
F12	-2.439	1.408

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.4154	2.4516	2.8309	2.4516	1.4154	1.4011	2.4392	3.7314	4.2320	3.7314	2.4392
C2	1.4154		1.4154	2.4516	2.8309	2.4516	2.4392	1.4011	2.4392	3.7314	4.2320	3.7314
C3	2.4516	1.4154		1.4154	2.4516	2.8309	3.7314	2.4392	1.4011	2.4392	3.7314	4.2320
C4	2.8309	2.4516	1.4154		1.4154	2.4516	4.2320	3.7314	2.4392	1.4011	2.4392	3.7314
C5	2.4516	2.8309	2.4516	1.4154		1.4154	3.7314	4.2320	3.7314	2.4392	1.4011	2.4392
C6	1.4154	2.4516	2.8309	2.4516	1.4154		2.4392	3.7314	4.2320	3.7314	2.4392	1.4011
F7	1.4011	2.4392	3.7314	4.2320	3.7314	2.4392		2.8165	4.8784	5.6331	4.8784	2.8165
F8	2.4392	1.4011	2.4392	3.7314	4.2320	3.7314	2.8165		2.8165	4.8784	5.6331	4.8784
F9	3.7314	2.4392	1.4011	2.4392	3.7314	4.2320	4.8784	2.8165		2.8165	4.8784	5.6331
F10	4.2320	3.7314	2.4392	1.4011	2.4392	3.7314	5.6331	4.8784	2.8165		2.8165	4.8784
F11	3.7314	4.2320	3.7314	2.4392	1.4011	2.4392	4.8784	5.6331	4.8784	2.8165		2.8165
F12	2.4392	3.7314	4.2320	3.7314	2.4392	1.4011	2.8165	4.8784	5.6331	4.8784	2.8165

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/SDD

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/SDD

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)