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	hartrees
Energy at 0K	-331.457434
Energy at 298.15K	-331.463086
HF Energy	-331.457434
Nuclear repulsion energy	270.131388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3091	2.03
2	A₁	3221	3081	15.11
3	A₁	3200	3061	0.21
4	A₁	1677	1604	50.27
5	A₁	1544	1477	91.28
6	A₁	1273	1218	92.66
7	A₁	1186	1135	11.21
8	A₁	1050	1004	4.63
9	A₁	1025	981	0.10
10	A₁	833	797	26.59
11	A₁	529	506	5.00
12	A₂	991	948	0.00
13	A₂	846	809	0.00
14	A₂	427	408	0.00
15	B₁	1006	962	0.01
16	B₁	920	880	10.20
17	B₁	774	740	75.08
18	B₁	705	674	22.96
19	B₁	518	496	10.38
20	B₁	241	231	0.06
21	B₂	3227	3087	6.45
22	B₂	3209	3069	7.87
23	B₂	1678	1605	10.74
24	B₂	1500	1434	1.63
25	B₂	1348	1289	0.87
26	B₂	1327	1270	0.18
27	B₂	1183	1132	0.33
28	B₂	1100	1052	8.89
29	B₂	630	603	0.17
30	B₂	411	394	2.23

Atom	y (Å)	z (Å)
F1	0.000	2.271
C2	0.000	0.924
C3	1.211	0.259
C4	-1.211	0.259
C5	1.202	-1.129
C6	-1.202	-1.129
C7	0.000	-1.826
H8	2.134	0.826
H9	-2.134	0.826
H10	2.143	-1.668
H11	-2.143	-1.668
H12	0.000	-2.909

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3465	2.3482	2.3482	3.6067	3.6067	4.0968	2.5769	2.5769	4.4837	4.4837	5.1800
C2	1.3465		1.3820	1.3820	2.3799	2.3799	2.7502	2.1360	2.1360	3.3631	3.3631	3.8335
C3	2.3482	1.3820		2.4229	1.3889	2.7848	2.4116	1.0826	3.3929	2.1402	3.8684	3.3921
C4	2.3482	1.3820	2.4229		2.7848	1.3889	2.4116	3.3929	1.0826	3.8684	2.1402	3.3921
C5	3.6067	2.3799	1.3889	2.7848		2.4046	1.3894	2.1662	3.8671	1.0836	3.3881	2.1477
C6	3.6067	2.3799	2.7848	1.3889	2.4046		1.3894	3.8671	2.1662	3.3881	1.0836	2.1477
C7	4.0968	2.7502	2.4116	2.4116	1.3894	1.3894		3.4039	3.4039	2.1486	2.1486	1.0832
H8	2.5769	2.1360	1.0826	3.3929	2.1662	3.8671	3.4039		4.2675	2.4938	4.9506	4.3018
H9	2.5769	2.1360	3.3929	1.0826	3.8671	2.1662	3.4039	4.2675		4.9506	2.4938	4.3018
H10	4.4837	3.3631	2.1402	3.8684	1.0836	3.3881	2.1486	2.4938	4.9506		4.2856	2.4765
H11	4.4837	3.3631	3.8684	2.1402	3.3881	1.0836	2.1486	4.9506	2.4938	4.2856		2.4765
H12	5.1800	3.8335	3.3921	3.3921	2.1477	2.1477	1.0832	4.3018	4.3018	2.4765	2.4765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.766	F1	C2	C4	118.766
C2	C3	C5	118.389	C2	C3	H8	119.659
C2	C4	C6	118.389	C2	C4	H9	119.659
C3	C2	C4	122.468	C3	C5	C7	120.456
C3	C5	H10	119.400	C4	C6	C7	120.456
C4	C6	H11	119.400	C5	C3	H8	121.952
C5	C7	C6	119.842	C5	C7	H12	120.079
C6	C4	H9	121.952	C6	C7	H12	120.079
C7	C5	H10	120.144	C7	C6	H11	120.144

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: wB97X-D/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	-0.233
2	C	0.244
3	C	-0.148
4	C	-0.148
5	C	-0.105
6	C	-0.105
7	C	-0.113
8	H	0.129
9	H	0.129
10	H	0.118
11	H	0.118
12	H	0.114

<r²>	180.738
(<r²>)^1/2	13.444

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)