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	hartrees
Energy at 0K	-813.065680
Energy at 298.15K	-813.066069
HF Energy	-812.608775
Nuclear repulsion energy	710.384757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	1574	1372	0.00
2	A_1g	565	493	0.00
3	A_2g	777	678	0.00
4	A_2u	219	191	2.66
5	B_1u	1518	1324	0.00
6	B_1u	606	528	0.00
7	B_2g	700	611	0.00
8	B_2g	186	162	0.00
9	B_2u	1174	1024	0.00
10	B_2u	244	213	0.00
11	E_1g	421	367	0.00
11	E_1g	421	367	0.00
12	E_1u	1593	1389	140.92
12	E_1u	1593	1389	140.92
13	E_1u	1044	910	33.02
13	E_1u	1044	910	33.02
14	E_1u	305	266	2.34
14	E_1u	305	266	2.34
15	E_2g	1690	1474	0.00
15	E_2g	1690	1474	0.00
16	E_2g	1276	1113	0.00
16	E_2g	1276	1113	0.00
17	E_2g	442	385	0.00
17	E_2g	442	385	0.00
18	E_2g	239	208	0.00
18	E_2g	239	208	0.00
19	E_2u	628	548	0.00
19	E_2u	628	548	0.00
20	E_2u	131	114	0.00
20	E_2u	131	114	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.434
C2	1.242	0.717
C3	1.242	-0.717
C4	0.000	-1.434
C5	-1.242	-0.717
C6	-1.242	0.717
F7	0.000	2.810
F8	2.434	1.405
F9	2.434	-1.405
F10	0.000	-2.810
F11	-2.434	-1.405
F12	-2.434	1.405

	C1	C2	C3	C4	C5	C6	F7	F8	F9	F10	F11	F12
C1		1.4343	2.4842	2.8685	2.4842	1.4343	1.3762	2.4341	3.7399	4.2447	3.7399	2.4341
C2	1.4343		1.4343	2.4842	2.8685	2.4842	2.4341	1.3762	2.4341	3.7399	4.2447	3.7399
C3	2.4842	1.4343		1.4343	2.4842	2.8685	3.7399	2.4341	1.3762	2.4341	3.7399	4.2447
C4	2.8685	2.4842	1.4343		1.4343	2.4842	4.2447	3.7399	2.4341	1.3762	2.4341	3.7399
C5	2.4842	2.8685	2.4842	1.4343		1.4343	3.7399	4.2447	3.7399	2.4341	1.3762	2.4341
C6	1.4343	2.4842	2.8685	2.4842	1.4343		2.4341	3.7399	4.2447	3.7399	2.4341	1.3762
F7	1.3762	2.4341	3.7399	4.2447	3.7399	2.4341		2.8105	4.8679	5.6210	4.8679	2.8105
F8	2.4341	1.3762	2.4341	3.7399	4.2447	3.7399	2.8105		2.8105	4.8679	5.6210	4.8679
F9	3.7399	2.4341	1.3762	2.4341	3.7399	4.2447	4.8679	2.8105		2.8105	4.8679	5.6210
F10	4.2447	3.7399	2.4341	1.3762	2.4341	3.7399	5.6210	4.8679	2.8105		2.8105	4.8679
F11	3.7399	4.2447	3.7399	2.4341	1.3762	2.4341	4.8679	5.6210	4.8679	2.8105		2.8105
F12	2.4341	3.7399	4.2447	3.7399	2.4341	1.3762	2.8105	4.8679	5.6210	4.8679	2.8105

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/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₆F₆ (hexafluorobenzene)