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	hartrees
Energy at 0K	-329.695266
Energy at 298.15K	-329.700686
Nuclear repulsion energy	270.002007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3098	0.00
2	A₁	3146	3087	10.57
3	A₁	3125	3067	0.29
4	A₁	1657	1626	54.19
5	A₁	1519	1491	95.21
6	A₁	1288	1264	64.40
7	A₁	1144	1123	4.91
8	A₁	1033	1013	2.44
9	A₁	998	979	0.95
10	A₁	825	809	16.50
11	A₁	513	503	2.72
12	A₂	919	902	0.00
13	A₂	799	784	0.00
14	A₂	413	405	0.00
15	B₁	946	928	0.12
16	B₁	866	850	7.59
17	B₁	741	727	64.75
18	B₁	680	667	12.57
19	B₁	499	490	8.37
20	B₁	236	231	0.01
21	B₂	3156	3097	1.41
22	B₂	3133	3074	7.17
23	B₂	1654	1623	9.58
24	B₂	1468	1441	1.14
25	B₂	1429	1402	0.26
26	B₂	1279	1255	0.41
27	B₂	1147	1125	0.03
28	B₂	1071	1051	8.93
29	B₂	607	596	0.12
30	B₂	397	390	1.69

Atom	y (Å)	z (Å)
F1	0.000	2.266
C2	0.000	0.931
C3	1.212	0.261
C4	-1.212	0.261
C5	1.203	-1.129
C6	-1.203	-1.129
C7	0.000	-1.827
H8	2.143	0.836
H9	-2.143	0.836
H10	2.154	-1.673
H11	-2.154	-1.673
H12	0.000	-2.922

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3342	2.3430	2.3430	3.6016	3.6016	4.0923	2.5766	2.5766	4.4894	4.4894	5.1873
C2	1.3342		1.3855	1.3855	2.3861	2.3861	2.7580	2.1455	2.1455	3.3800	3.3800	3.8531
C3	2.3430	1.3855		2.4244	1.3896	2.7867	2.4137	1.0945	3.4045	2.1509	3.8823	3.4053
C4	2.3430	1.3855	2.4244		2.7867	1.3896	2.4137	3.4045	1.0945	3.8823	2.1509	3.4053
C5	3.6016	2.3861	1.3896	2.7867		2.4066	1.3909	2.1781	3.8808	1.0957	3.4014	2.1590
C6	3.6016	2.3861	2.7867	1.3896	2.4066		1.3909	3.8808	2.1781	3.4014	1.0957	2.1590
C7	4.0923	2.7580	2.4137	2.4137	1.3909	1.3909		3.4179	3.4179	2.1598	2.1598	1.0950
H8	2.5766	2.1455	1.0945	3.4045	2.1781	3.8808	3.4179		4.2868	2.5088	4.9764	4.3258
H9	2.5766	2.1455	3.4045	1.0945	3.8808	2.1781	3.4179	4.2868		4.9764	2.5088	4.3258
H10	4.4894	3.3800	2.1509	3.8823	1.0957	3.4014	2.1598	2.5088	4.9764		4.3088	2.4901
H11	4.4894	3.3800	3.8823	2.1509	3.4014	1.0957	2.1598	4.9764	2.5088	4.3088		2.4901
H12	5.1873	3.8531	3.4053	3.4053	2.1590	2.1590	1.0950	4.3258	4.3258	2.4901	2.4901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.961	F1	C2	C4	118.961
C2	C3	C5	118.593	C2	C3	H8	119.334
C2	C4	C6	118.593	C2	C4	H9	119.334
C3	C2	C4	122.077	C3	C5	C7	120.472
C3	C5	H10	119.400	C4	C6	C7	120.472
C4	C6	H11	119.400	C5	C3	H8	122.073
C5	C7	C6	119.793	C5	C7	H12	120.103
C6	C4	H9	122.073	C6	C7	H12	120.103
C7	C5	H10	120.128	C7	C6	H11	120.128

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: LSDA/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	-0.232
2	C	0.316
3	C	-0.214
4	C	-0.214
5	C	-0.159
6	C	-0.159
7	C	-0.151
8	H	0.168
9	H	0.168
10	H	0.161
11	H	0.161
12	H	0.156

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)