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	hartrees
Energy at 0K	-329.683686
Energy at 298.15K	-329.689682
HF Energy	-329.683686
Nuclear repulsion energy	272.229048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3359	3045	0.68
2	A₁	3347	3034	20.72
3	A₁	3323	3012	0.11
4	A₁	1783	1616	70.89
5	A₁	1657	1502	93.71
6	A₁	1367	1239	116.13
7	A₁	1265	1146	8.61
8	A₁	1111	1007	3.22
9	A₁	1087	985	0.62
10	A₁	884	801	25.53
11	A₁	563	511	5.40
12	A₂	1097	994	0.00
13	A₂	930	843	0.00
14	A₂	464	421	0.00
15	B₁	1108	1005	0.18
16	B₁	1018	923	11.10
17	B₁	851	771	83.65
18	B₁	762	691	22.69
19	B₁	563	511	11.54
20	B₁	264	240	0.07
21	B₂	3356	3042	9.93
22	B₂	3334	3022	9.66
23	B₂	1781	1614	14.05
24	B₂	1608	1458	2.11
25	B₂	1448	1313	1.12
26	B₂	1322	1198	0.04
27	B₂	1194	1082	0.00
28	B₂	1153	1045	6.96
29	B₂	672	609	0.18
30	B₂	443	402	2.52

Atom	y (Å)	z (Å)
F1	0.000	2.244
C2	0.000	0.916
C3	1.203	0.261
C4	-1.203	0.261
C5	1.193	-1.118
C6	-1.193	-1.118
C7	0.000	-1.811
H8	2.115	0.822
H9	-2.115	0.822
H10	2.123	-1.651
H11	-2.123	-1.651
H12	0.000	-2.882

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3282	2.3198	2.3198	3.5681	3.5681	4.0547	2.5493	2.5493	4.4365	4.4365	5.1261
C2	1.3282		1.3700	1.3700	2.3586	2.3586	2.7265	2.1175	2.1175	3.3314	3.3314	3.7978
C3	2.3198	1.3700		2.4064	1.3793	2.7652	2.3955	1.0707	3.3656	2.1219	3.8368	3.3652
C4	2.3198	1.3700	2.4064		2.7652	1.3793	2.3955	3.3656	1.0707	3.8368	2.1219	3.3652
C5	3.5681	2.3586	1.3793	2.7652		2.3868	1.3796	2.1478	3.8355	1.0716	3.3591	2.1293
C6	3.5681	2.3586	2.7652	1.3793	2.3868		1.3796	3.8355	2.1478	3.3591	1.0716	2.1293
C7	4.0547	2.7265	2.3955	2.3955	1.3796	1.3796		3.3768	3.3768	2.1291	2.1291	1.0713
H8	2.5493	2.1175	1.0707	3.3656	2.1478	3.8355	3.3768		4.2308	2.4727	4.9071	4.2649
H9	2.5493	2.1175	3.3656	1.0707	3.8355	2.1478	3.3768	4.2308		4.9071	2.4727	4.2649
H10	4.4365	3.3314	2.1219	3.8368	1.0716	3.3591	2.1291	2.4727	4.9071		4.2462	2.4540
H11	4.4365	3.3314	3.8368	2.1219	3.3591	1.0716	2.1291	4.9071	2.4727	4.2462		2.4540
H12	5.1261	3.7978	3.3652	3.3652	2.1293	2.1293	1.0713	4.2649	4.2649	2.4540	2.4540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.566	F1	C2	C4	118.566
C2	C3	C5	118.159	C2	C3	H8	119.860
C2	C4	C6	118.159	C2	C4	H9	119.860
C3	C2	C4	122.868	C3	C5	C7	120.520
C3	C5	H10	119.411	C4	C6	C7	120.520
C4	C6	H11	119.411	C5	C3	H8	121.981
C5	C7	C6	119.776	C5	C7	H12	120.112
C6	C4	H9	121.981	C6	C7	H12	120.112
C7	C5	H10	120.070	C7	C6	H11	120.070

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/Def2TZVPP

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	-0.277
2	C	0.265
3	C	-0.098
4	C	-0.098
5	C	-0.096
6	C	-0.096
7	C	-0.086
8	H	0.098
9	H	0.098
10	H	0.097
11	H	0.097
12	H	0.096

<r²>	178.739
(<r²>)^1/2	13.369

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)