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	hartrees
Energy at 0K	-329.546010
Energy at 298.15K	-329.551743
Nuclear repulsion energy	269.092542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3119	0.01
2	A₁	3245	3104	11.08
3	A₁	3222	3083	0.02
4	A₁	1662	1590	52.34
5	A₁	1559	1491	61.29
6	A₁	1317	1260	43.12
7	A₁	1220	1167	4.37
8	A₁	1057	1011	2.45
9	A₁	1042	997	0.70
10	A₁	842	806	14.81
11	A₁	537	514	2.58
12	A₂	1026	981	0.00
13	A₂	873	836	0.00
14	A₂	440	421	0.00
15	B₁	1049	1004	2.02
16	B₁	966	924	18.39
17	B₁	804	770	70.77
18	B₁	736	705	46.29
19	B₁	530	507	10.59
20	B₁	249	238	0.09
21	B₂	3257	3116	2.35
22	B₂	3231	3091	6.61
23	B₂	1645	1573	11.61
24	B₂	1510	1445	2.66
25	B₂	1375	1315	0.34
26	B₂	1343	1284	0.01
27	B₂	1226	1173	0.47
28	B₂	1112	1064	8.00
29	B₂	645	617	0.09
30	B₂	388	372	1.96

Atom	y (Å)	z (Å)
F1	0.000	2.299
C2	0.000	0.933
C3	1.206	0.253
C4	-1.206	0.253
C5	1.204	-1.138
C6	-1.204	-1.138
C7	0.000	-1.838
H8	2.129	0.815
H9	-2.129	0.815
H10	2.145	-1.674
H11	-2.145	-1.674
H12	0.000	-2.920

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3658	2.3753	2.3753	3.6418	3.6418	4.1371	2.5957	2.5957	4.5145	4.5145	5.2191
C2	1.3658		1.3850	1.3850	2.3957	2.3957	2.7712	2.1327	2.1327	3.3756	3.3756	3.8532
C3	2.3753	1.3850		2.4128	1.3908	2.7830	2.4140	1.0806	3.3828	2.1428	3.8653	3.3945
C4	2.3753	1.3850	2.4128		2.7830	1.3908	2.4140	3.3828	1.0806	3.8653	2.1428	3.3945
C5	3.6418	2.3957	1.3908	2.7830		2.4082	1.3928	2.1609	3.8634	1.0823	3.3913	2.1507
C6	3.6418	2.3957	2.7830	1.3908	2.4082		1.3928	3.8634	2.1609	3.3913	1.0823	2.1507
C7	4.1371	2.7712	2.4140	2.4140	1.3928	1.3928		3.4018	3.4018	2.1509	2.1509	1.0820
H8	2.5957	2.1327	1.0806	3.3828	2.1609	3.8634	3.4018		4.2589	2.4884	4.9456	4.2992
H9	2.5957	2.1327	3.3828	1.0806	3.8634	2.1609	3.4018	4.2589		4.9456	2.4884	4.2992
H10	4.5145	3.3756	2.1428	3.8653	1.0823	3.3913	2.1509	2.4884	4.9456		4.2892	2.4805
H11	4.5145	3.3756	3.8653	2.1428	3.3913	1.0823	2.1509	4.9456	2.4884	4.2892		2.4805
H12	5.2191	3.8532	3.3945	3.3945	2.1507	2.1507	1.0820	4.2992	4.2992	2.4805	2.4805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.420	F1	C2	C4	119.420
C2	C3	C5	119.326	C2	C3	H8	119.251
C2	C4	C6	119.326	C2	C4	H9	119.251
C3	C2	C4	121.161	C3	C5	C7	120.269
C3	C5	H10	119.568	C4	C6	C7	120.269
C4	C6	H11	119.568	C5	C3	H8	121.423
C5	C7	C6	119.650	C5	C7	H12	120.175
C6	C4	H9	121.423	C6	C7	H12	120.175
C7	C5	H10	120.163	C7	C6	H11	120.163

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: B1B95/3-21G

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	-0.299
2	C	0.289
3	C	-0.244
4	C	-0.244
5	C	-0.211
6	C	-0.211
7	C	-0.214
8	H	0.236
9	H	0.236
10	H	0.222
11	H	0.222
12	H	0.216

<r²>	182.090
(<r²>)^1/2	13.494

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)