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	hartrees
Energy at 0K	-329.592989
Energy at 298.15K	-329.598946
Nuclear repulsion energy	270.722075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3375	3073	0.49
2	A₁	3363	3062	18.55
3	A₁	3339	3040	0.12
4	A₁	1782	1623	66.05
5	A₁	1640	1494	93.75
6	A₁	1345	1225	111.98
7	A₁	1252	1140	9.38
8	A₁	1106	1007	4.84
9	A₁	1080	983	0.02
10	A₁	874	796	28.38
11	A₁	557	507	6.27
12	A₂	1075	979	0.00
13	A₂	917	835	0.00
14	A₂	459	418	0.00
15	B₁	1079	983	0.13
16	B₁	1000	911	11.69
17	B₁	836	761	87.30
18	B₁	745	679	20.85
19	B₁	551	502	12.03
20	B₁	261	238	0.08
21	B₂	3372	3071	7.86
22	B₂	3349	3050	9.45
23	B₂	1786	1626	12.01
24	B₂	1591	1449	2.08
25	B₂	1426	1299	1.10
26	B₂	1322	1204	0.03
27	B₂	1203	1096	0.02
28	B₂	1152	1049	6.12
29	B₂	668	608	0.13
30	B₂	436	397	2.70

Atom	y (Å)	z (Å)
F1	0.000	2.261
C2	0.000	0.926
C3	1.211	0.262
C4	-1.211	0.262
C5	1.201	-1.127
C6	-1.201	-1.127
C7	0.000	-1.825
H8	2.132	0.824
H9	-2.132	0.824
H10	2.139	-1.663
H11	-2.139	-1.663
H12	0.000	-2.904

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3360	2.3373	2.3373	3.5950	3.5950	4.0863	2.5709	2.5709	4.4698	4.4698	5.1658
C2	1.3360		1.3807	1.3807	2.3781	2.3781	2.7503	2.1342	2.1342	3.3582	3.3582	3.8298
C3	2.3373	1.3807		2.4220	1.3892	2.7837	2.4130	1.0789	3.3898	2.1376	3.8639	3.3903
C4	2.3373	1.3807	2.4220		2.7837	1.3892	2.4130	3.3898	1.0789	3.8639	2.1376	3.3903
C5	3.5950	2.3781	1.3892	2.7837		2.4027	1.3894	2.1618	3.8624	1.0802	3.3830	2.1454
C6	3.5950	2.3781	2.7837	1.3892	2.4027		1.3894	3.8624	2.1618	3.3830	1.0802	2.1454
C7	4.0863	2.7503	2.4130	2.4130	1.3894	1.3894		3.4005	3.4005	2.1449	2.1449	1.0795
H8	2.5709	2.1342	1.0789	3.3898	2.1618	3.8624	3.4005		4.2637	2.4879	4.9425	4.2952
H9	2.5709	2.1342	3.3898	1.0789	3.8624	2.1618	3.4005	4.2637		4.9425	2.4879	4.2952
H10	4.4698	3.3582	2.1376	3.8639	1.0802	3.3830	2.1449	2.4879	4.9425		4.2776	2.4727
H11	4.4698	3.3582	3.8639	2.1376	3.3830	1.0802	2.1449	4.9425	2.4879	4.2776		2.4727
H12	5.1658	3.8298	3.3903	3.3903	2.1454	2.1454	1.0795	4.2952	4.2952	2.4727	2.4727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.708	F1	C2	C4	118.708
C2	C3	C5	118.310	C2	C3	H8	119.889
C2	C4	C6	118.310	C2	C4	H9	119.889
C3	C2	C4	122.584	C3	C5	C7	120.553
C3	C5	H10	119.388	C4	C6	C7	120.553
C4	C6	H11	119.388	C5	C3	H8	121.801
C5	C7	C6	119.689	C5	C7	H12	120.156
C6	C4	H9	121.801	C6	C7	H12	120.156
C7	C5	H10	120.059	C7	C6	H11	120.059

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/aug-cc-pVDZ

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	-0.809
2	C	0.935
3	C	0.099
4	C	0.099
5	C	0.738
6	C	0.738
7	C	0.275
8	H	-0.385
9	H	-0.385
10	H	-0.439
11	H	-0.439
12	H	-0.425

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)