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	hartrees
Energy at 0K	-331.303484
Energy at 298.15K	-331.308932
Nuclear repulsion energy	265.112137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3138	0.01
2	A₁	3143	3119	29.91
3	A₁	3118	3094	0.00
4	A₁	1587	1575	30.45
5	A₁	1500	1489	48.82
6	A₁	1209	1200	46.91
7	A₁	1174	1165	21.48
8	A₁	1024	1017	2.66
9	A₁	1002	995	0.52
10	A₁	795	789	19.80
11	A₁	512	508	5.06
12	A₂	949	942	0.00
13	A₂	821	815	0.00
14	A₂	420	417	0.00
15	B₁	975	968	0.17
16	B₁	889	882	5.58
17	B₁	749	743	76.59
18	B₁	683	678	7.36
19	B₁	491	487	4.99
20	B₁	233	231	0.30
21	B₂	3159	3135	12.13
22	B₂	3128	3105	17.37
23	B₂	1596	1584	9.00
24	B₂	1466	1455	1.30
25	B₂	1338	1328	0.00
26	B₂	1326	1316	0.21
27	B₂	1189	1179	0.36
28	B₂	1078	1070	6.02
29	B₂	625	620	0.11
30	B₂	377	374	2.38

Atom	y (Å)	z (Å)
F1	0.000	2.338
C2	0.000	0.928
C3	1.231	0.257
C4	-1.231	0.257
C5	1.222	-1.154
C6	-1.222	-1.154
C7	0.000	-1.860
H8	2.161	0.827
H9	-2.161	0.827
H10	2.170	-1.697
H11	-2.170	-1.697
H12	0.000	-2.952

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.4091	2.4173	2.4173	3.6988	3.6988	4.1974	2.6367	2.6367	4.5809	4.5809	5.2895
C2	1.4091		1.4020	1.4020	2.4142	2.4142	2.7882	2.1631	2.1631	3.4059	3.4059	3.8804
C3	2.4173	1.4020		2.4616	1.4106	2.8296	2.4487	1.0905	3.4390	2.1678	3.9221	3.4370
C4	2.4173	1.4020	2.4616		2.8296	1.4106	2.4487	3.4390	1.0905	3.9221	2.1678	3.4370
C5	3.6988	2.4142	1.4106	2.8296		2.4444	1.4116	2.1912	3.9198	1.0925	3.4355	2.1745
C6	3.6988	2.4142	2.8296	1.4106	2.4444		1.4116	3.9198	2.1912	3.4355	1.0925	2.1745
C7	4.1974	2.7882	2.4487	2.4487	1.4116	1.4116		3.4475	3.4475	2.1762	2.1762	1.0922
H8	2.6367	2.1631	1.0905	3.4390	2.1912	3.9198	3.4475		4.3215	2.5232	5.0122	4.3527
H9	2.6367	2.1631	3.4390	1.0905	3.9198	2.1912	3.4475	4.3215		5.0122	2.5232	4.3527
H10	4.5809	3.4059	2.1678	3.9221	1.0925	3.4355	2.1762	2.5232	5.0122		4.3401	2.5070
H11	4.5809	3.4059	3.9221	2.1678	3.4355	1.0925	2.1762	5.0122	2.5232	4.3401		2.5070
H12	5.2895	3.8804	3.4370	3.4370	2.1745	2.1745	1.0922	4.3527	4.3527	2.5070	2.5070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.612	F1	C2	C4	118.612
C2	C3	C5	118.262	C2	C3	H8	119.904
C2	C4	C6	118.262	C2	C4	H9	119.904
C3	C2	C4	122.776	C3	C5	C7	120.373
C3	C5	H10	119.464	C4	C6	C7	120.373
C4	C6	H11	119.464	C5	C3	H8	121.834
C5	C7	C6	119.954	C5	C7	H12	120.023
C6	C4	H9	121.834	C6	C7	H12	120.023
C7	C5	H10	120.163	C7	C6	H11	120.163

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	F	-0.301
2	C	0.258
3	C	-0.109
4	C	-0.109
5	C	-0.101
6	C	-0.101
7	C	-0.089
8	H	0.118
9	H	0.118
10	H	0.107
11	H	0.107
12	H	0.102

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)