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	hartrees
Energy at 0K	-331.173222
Energy at 298.15K	-331.178639
Nuclear repulsion energy	268.011886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	3110	0.23
2	A₁	3128	3099	17.85
3	A₁	3106	3078	0.33
4	A₁	1598	1583	43.61
5	A₁	1478	1465	80.45
6	A₁	1218	1207	86.35
7	A₁	1138	1128	12.99
8	A₁	1013	1004	3.71
9	A₁	989	980	0.13
10	A₁	802	794	24.75
11	A₁	508	504	4.47
12	A₂	928	919	0.00
13	A₂	796	789	0.00
14	A₂	408	404	0.00
15	B₁	947	939	0.01
16	B₁	866	858	6.83
17	B₁	738	731	72.57
18	B₁	673	667	16.63
19	B₁	493	489	10.69
20	B₁	230	228	0.03
21	B₂	3136	3108	5.90
22	B₂	3114	3086	9.72
23	B₂	1602	1588	9.47
24	B₂	1441	1428	1.12
25	B₂	1353	1340	0.11
26	B₂	1279	1267	0.51
27	B₂	1145	1134	0.14
28	B₂	1060	1051	9.15
29	B₂	605	600	0.17
30	B₂	392	388	1.85

Atom	y (Å)	z (Å)
F1	0.000	2.292
C2	0.000	0.934
C3	1.220	0.260
C4	-1.220	0.260
C5	1.211	-1.139
C6	-1.211	-1.139
C7	0.000	-1.841
H8	2.149	0.832
H9	-2.149	0.832
H10	2.160	-1.681
H11	-2.160	-1.681
H12	0.000	-2.933

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3589	2.3709	2.3709	3.6393	3.6393	4.1339	2.5983	2.5983	4.5227	4.5227	5.2257
C2	1.3589		1.3940	1.3940	2.4008	2.4008	2.7750	2.1517	2.1517	3.3913	3.3913	3.8667
C3	2.3709	1.3940		2.4408	1.3992	2.8054	2.4299	1.0913	3.4180	2.1563	3.8977	3.4182
C4	2.3709	1.3940	2.4408		2.8054	1.3992	2.4299	3.4180	1.0913	3.8977	2.1563	3.4182
C5	3.6393	2.4008	1.3992	2.8054		2.4225	1.4000	2.1836	3.8963	1.0923	3.4142	2.1645
C6	3.6393	2.4008	2.8054	1.3992	2.4225		1.4000	3.8963	2.1836	3.4142	1.0923	2.1645
C7	4.1339	2.7750	2.4299	2.4299	1.4000	1.4000		3.4306	3.4306	2.1657	2.1657	1.0917
H8	2.5983	2.1517	1.0913	3.4180	2.1836	3.8963	3.4306		4.2986	2.5136	4.9886	4.3358
H9	2.5983	2.1517	3.4180	1.0913	3.8963	2.1836	3.4306	4.2986		4.9886	2.5136	4.3358
H10	4.5227	3.3913	2.1563	3.8977	1.0923	3.4142	2.1657	2.5136	4.9886		4.3194	2.4964
H11	4.5227	3.3913	3.8977	2.1563	3.4142	1.0923	2.1657	4.9886	2.5136	4.3194		2.4964
H12	5.2257	3.8667	3.4182	3.4182	2.1645	2.1645	1.0917	4.3358	4.3358	2.4964	2.4964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.903	F1	C2	C4	118.903
C2	C3	C5	118.529	C2	C3	H8	119.444
C2	C4	C6	118.529	C2	C4	H9	119.444
C3	C2	C4	122.193	C3	C5	C7	120.473
C3	C5	H10	119.362	C4	C6	C7	120.473
C4	C6	H11	119.362	C5	C3	H8	122.027
C5	C7	C6	119.803	C5	C7	H12	120.099
C6	C4	H9	122.027	C6	C7	H12	120.099
C7	C5	H10	120.165	C7	C6	H11	120.165

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: PBEPBE/6-311G**

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	-0.203
2	C	0.215
3	C	-0.128
4	C	-0.128
5	C	-0.096
6	C	-0.096
7	C	-0.097
8	H	0.111
9	H	0.111
10	H	0.104
11	H	0.104
12	H	0.100

<r²>	183.354
(<r²>)^1/2	13.541

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)