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	hartrees
Energy at 0K	-329.675234
Energy at 298.15K	-329.680975
Nuclear repulsion energy	268.280352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3125	0.02
2	A₁	3222	3109	14.59
3	A₁	3200	3087	0.00
4	A₁	1647	1589	50.71
5	A₁	1556	1501	53.49
6	A₁	1306	1261	46.66
7	A₁	1221	1178	4.69
8	A₁	1058	1020	1.08
9	A₁	1038	1002	1.82
10	A₁	840	811	14.18
11	A₁	542	523	2.91
12	A₂	1019	983	0.00
13	A₂	869	838	0.00
14	A₂	444	428	0.00
15	B₁	1042	1006	2.05
16	B₁	961	927	16.35
17	B₁	801	773	60.53
18	B₁	736	710	42.04
19	B₁	531	513	9.07
20	B₁	250	242	0.09
21	B₂	3236	3122	4.28
22	B₂	3209	3096	8.24
23	B₂	1628	1571	11.34
24	B₂	1511	1458	2.22
25	B₂	1379	1330	0.22
26	B₂	1324	1278	0.02
27	B₂	1228	1185	0.65
28	B₂	1109	1070	7.33
29	B₂	655	632	0.10
30	B₂	391	378	1.88

Atom	y (Å)	z (Å)
F1	0.000	2.307
C2	0.000	0.936
C3	1.210	0.253
C4	-1.210	0.253
C5	1.208	-1.142
C6	-1.208	-1.142
C7	0.000	-1.844
H8	2.134	0.816
H9	-2.134	0.816
H10	2.149	-1.679
H11	-2.149	-1.679
H12	0.000	-2.927

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3709	2.3835	2.3835	3.6539	3.6539	4.1502	2.6031	2.6031	4.5278	4.5278	5.2333
C2	1.3709		1.3895	1.3895	2.4032	2.4032	2.7794	2.1375	2.1375	3.3844	3.3844	3.8625
C3	2.3835	1.3895		2.4207	1.3950	2.7921	2.4212	1.0817	3.3915	2.1480	3.8755	3.4026
C4	2.3835	1.3895	2.4207		2.7921	1.3950	2.4212	3.3915	1.0817	3.8755	2.1480	3.4026
C5	3.6539	2.4032	1.3950	2.7921		2.4165	1.3974	2.1657	3.8736	1.0834	3.4002	2.1555
C6	3.6539	2.4032	2.7921	1.3950	2.4165		1.3974	3.8736	2.1657	3.4002	1.0834	2.1555
C7	4.1502	2.7794	2.4212	2.4212	1.3974	1.3974		3.4101	3.4101	2.1556	2.1556	1.0831
H8	2.6031	2.1375	1.0817	3.3915	2.1657	3.8736	3.4101		4.2682	2.4948	4.9569	4.3085
H9	2.6031	2.1375	3.3915	1.0817	3.8736	2.1657	3.4101	4.2682		4.9569	2.4948	4.3085
H10	4.5278	3.3844	2.1480	3.8755	1.0834	3.4002	2.1556	2.4948	4.9569		4.2986	2.4855
H11	4.5278	3.3844	3.8755	2.1480	3.4002	1.0834	2.1556	4.9569	2.4948	4.2986		2.4855
H12	5.2333	3.8625	3.4026	3.4026	2.1555	2.1555	1.0831	4.3085	4.3085	2.4855	2.4855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.415	F1	C2	C4	119.415
C2	C3	C5	119.329	C2	C3	H8	119.233
C2	C4	C6	119.329	C2	C4	H9	119.233
C3	C2	C4	121.171	C3	C5	C7	120.239
C3	C5	H10	119.620	C4	C6	C7	120.239
C4	C6	H11	119.620	C5	C3	H8	121.438
C5	C7	C6	119.692	C5	C7	H12	120.154
C6	C4	H9	121.438	C6	C7	H12	120.154
C7	C5	H10	120.140	C7	C6	H11	120.140

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: B3LYP/3-21G

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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Number	Element	Mulliken
1	F	-0.294
2	C	0.290
3	C	-0.219
4	C	-0.219
5	C	-0.186
6	C	-0.186
7	C	-0.189
8	H	0.209
9	H	0.209
10	H	0.196
11	H	0.196
12	H	0.191

<r²>	183.187
(<r²>)^1/2	13.535

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)