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	hartrees
Energy at 0K	-331.363803
Energy at 298.15K	-331.369362
Nuclear repulsion energy	269.971227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3096	0.03
2	A₁	3231	3085	17.82
3	A₁	3209	3064	0.24
4	A₁	1678	1603	51.77
5	A₁	1545	1476	85.74
6	A₁	1294	1236	82.20
7	A₁	1178	1125	6.56
8	A₁	1048	1001	2.68
9	A₁	1016	970	0.59
10	A₁	831	793	20.19
11	A₁	518	495	3.28
12	A₂	969	925	0.00
13	A₂	834	796	0.00
14	A₂	421	402	0.00
15	B₁	991	947	0.05
16	B₁	903	862	6.90
17	B₁	765	730	69.44
18	B₁	694	663	7.51
19	B₁	510	487	5.73
20	B₁	241	230	0.10
21	B₂	3241	3095	5.44
22	B₂	3217	3072	10.24
23	B₂	1679	1603	9.46
24	B₂	1500	1432	1.00
25	B₂	1385	1322	0.37
26	B₂	1323	1263	0.37
27	B₂	1180	1127	0.16
28	B₂	1097	1047	7.00
29	B₂	616	588	0.09
30	B₂	401	383	2.02

Atom	y (Å)	z (Å)
F1	0.000	2.272
C2	0.000	0.929
C3	1.213	0.260
C4	-1.213	0.260
C5	1.204	-1.131
C6	-1.204	-1.131
C7	0.000	-1.829
H8	2.136	0.827
H9	-2.136	0.827
H10	2.145	-1.669
H11	-2.145	-1.669
H12	0.000	-2.912

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3425	2.3492	2.3492	3.6090	3.6090	4.1002	2.5783	2.5783	4.4867	4.4867	5.1841
C2	1.3425		1.3853	1.3853	2.3857	2.3857	2.7576	2.1381	2.1381	3.3693	3.3693	3.8415
C3	2.3492	1.3853		2.4259	1.3905	2.7880	2.4150	1.0832	3.3963	2.1423	3.8725	3.3962
C4	2.3492	1.3853	2.4259		2.7880	1.3905	2.4150	3.3963	1.0832	3.8725	2.1423	3.3962
C5	3.6090	2.3857	1.3905	2.7880		2.4072	1.3912	2.1684	3.8709	1.0845	3.3915	2.1502
C6	3.6090	2.3857	2.7880	1.3905	2.4072		1.3912	3.8709	2.1684	3.3915	1.0845	2.1502
C7	4.1002	2.7576	2.4150	2.4150	1.3912	1.3912		3.4079	3.4079	2.1509	2.1509	1.0839
H8	2.5783	2.1381	1.0832	3.3963	2.1684	3.8709	3.4079		4.2713	2.4963	4.9553	4.3064
H9	2.5783	2.1381	3.3963	1.0832	3.8709	2.1684	3.4079	4.2713		4.9553	2.4963	4.3064
H10	4.4867	3.3693	2.1423	3.8725	1.0845	3.3915	2.1509	2.4963	4.9553		4.2899	2.4792
H11	4.4867	3.3693	3.8725	2.1423	3.3915	1.0845	2.1509	4.9553	2.4963	4.2899		2.4792
H12	5.1841	3.8415	3.3962	3.3962	2.1502	2.1502	1.0839	4.3064	4.3064	2.4792	2.4792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.890	F1	C2	C4	118.890
C2	C3	C5	118.504	C2	C3	H8	119.525
C2	C4	C6	118.504	C2	C4	H9	119.525
C3	C2	C4	122.220	C3	C5	C7	120.490
C3	C5	H10	119.384	C4	C6	C7	120.490
C4	C6	H11	119.384	C5	C3	H8	121.970
C5	C7	C6	119.791	C5	C7	H12	120.104
C6	C4	H9	121.970	C6	C7	H12	120.104
C7	C5	H10	120.126	C7	C6	H11	120.126

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: B1B95/6-31G**

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	-0.297
2	C	0.344
3	C	-0.160
4	C	-0.160
5	C	-0.114
6	C	-0.114
7	C	-0.111
8	H	0.129
9	H	0.129
10	H	0.120
11	H	0.120
12	H	0.115

<r²>	180.438
(<r²>)^1/2	13.433

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)