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	hartrees
Energy at 0K	-59.709109
Energy at 298.15K	-59.715026
Nuclear repulsion energy	137.751765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3386	3059	0.56
2	A₁	3374	3048	33.61
3	A₁	3350	3026	0.11
4	A₁	1770	1599	74.46
5	A₁	1643	1484	98.46
6	A₁	1357	1226	122.10
7	A₁	1255	1134	8.34
8	A₁	1101	994	4.00
9	A₁	1072	968	0.65
10	A₁	873	788	25.90
11	A₁	554	500	4.93
12	A₂	1090	985	0.00
13	A₂	925	836	0.00
14	A₂	457	413	0.00
15	B₁	1107	1000	0.05
16	B₁	1003	906	10.38
17	B₁	841	759	116.03
18	B₁	742	670	12.59
19	B₁	554	500	10.38
20	B₁	261	236	0.08
21	B₂	3384	3057	18.78
22	B₂	3360	3036	15.36
23	B₂	1766	1595	14.16
24	B₂	1592	1439	1.68
25	B₂	1434	1296	1.28
26	B₂	1307	1181	0.05
27	B₂	1180	1066	0.07
28	B₂	1141	1031	7.44
29	B₂	662	598	0.20
30	B₂	434	392	2.87

Atom	y (Å)	z (Å)
F1	0.000	2.267
C2	0.000	0.929
C3	1.216	0.264
C4	-1.216	0.264
C5	1.206	-1.131
C6	-1.206	-1.131
C7	0.000	-1.831
H8	2.134	0.825
H9	-2.134	0.825
H10	2.141	-1.665
H11	-2.141	-1.665
H12	0.000	-2.907

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3376	2.3434	2.3434	3.6050	3.6050	4.0975	2.5752	2.5752	4.4770	4.4770	5.1737
C2	1.3376		1.3864	1.3864	2.3868	2.3868	2.7599	2.1363	2.1363	3.3636	3.3636	3.8362
C3	2.3434	1.3864		2.4323	1.3942	2.7948	2.4218	1.0756	3.3966	2.1390	3.8716	3.3958
C4	2.3434	1.3864	2.4323		2.7948	1.3942	2.4218	3.3966	1.0756	3.8716	2.1390	3.3958
C5	3.6050	2.3868	1.3942	2.7948		2.4121	1.3946	2.1644	3.8701	1.0768	3.3891	2.1471
C6	3.6050	2.3868	2.7948	1.3942	2.4121		1.3946	3.8701	2.1644	3.3891	1.0768	2.1471
C7	4.0975	2.7599	2.4218	2.4218	1.3946	1.3946		3.4066	3.4066	2.1470	2.1470	1.0763
H8	2.5752	2.1363	1.0756	3.3966	2.1644	3.8701	3.4066		4.2675	2.4903	4.9469	4.2988
H9	2.5752	2.1363	3.3966	1.0756	3.8701	2.1644	3.4066	4.2675		4.9469	2.4903	4.2988
H10	4.4770	3.3636	2.1390	3.8716	1.0768	3.3891	2.1470	2.4903	4.9469		4.2813	2.4747
H11	4.4770	3.3636	3.8716	2.1390	3.3891	1.0768	2.1470	4.9469	2.4903	4.2813		2.4747
H12	5.1737	3.8362	3.3958	3.3958	2.1471	2.1471	1.0763	4.2988	4.2988	2.4747	2.4747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.691	F1	C2	C4	118.691
C2	C3	C5	118.275	C2	C3	H8	119.853
C2	C4	C6	118.275	C2	C4	H9	119.853
C3	C2	C4	122.618	C3	C5	C7	120.554
C3	C5	H10	119.362	C4	C6	C7	120.554
C4	C6	H11	119.362	C5	C3	H8	121.872
C5	C7	C6	119.724	C5	C7	H12	120.138
C6	C4	H9	121.872	C6	C7	H12	120.138
C7	C5	H10	120.083	C7	C6	H11	120.083

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/CEP-121G*

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	-0.322
2	C	0.503
3	C	-0.386
4	C	-0.386
5	C	-0.179
6	C	-0.179
7	C	-0.282
8	H	0.251
9	H	0.251
10	H	0.244
11	H	0.244
12	H	0.241

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)