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	hartrees
Energy at 0K	-329.492944
Energy at 298.15K	-329.498930
Nuclear repulsion energy	268.798863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3436	3092	1.75
2	A₁	3419	3076	29.29
3	A₁	3392	3053	0.21
4	A₁	1791	1612	46.91
5	A₁	1654	1488	78.97
6	A₁	1327	1194	64.25
7	A₁	1289	1160	20.61
8	A₁	1124	1011	8.24
9	A₁	1092	983	1.28
10	A₁	863	777	31.56
11	A₁	560	504	6.86
12	A₂	1122	1010	0.00
13	A₂	962	866	0.00
14	A₂	469	422	0.00
15	B₁	1150	1035	0.91
16	B₁	1053	947	14.68
17	B₁	877	789	132.13
18	B₁	779	701	33.13
19	B₁	558	502	12.83
20	B₁	264	237	0.40
21	B₂	3432	3088	14.91
22	B₂	3406	3065	15.48
23	B₂	1793	1614	12.76
24	B₂	1611	1450	3.86
25	B₂	1470	1323	0.82
26	B₂	1369	1232	0.35
27	B₂	1273	1145	0.05
28	B₂	1178	1060	8.87
29	B₂	683	615	0.20
30	B₂	417	375	4.71

Atom	y (Å)	z (Å)
F1	0.000	2.298
C2	0.000	0.917
C3	1.217	0.258
C4	-1.217	0.258
C5	1.209	-1.137
C6	-1.209	-1.137
C7	0.000	-1.836
H8	2.129	0.819
H9	-2.129	0.819
H10	2.138	-1.672
H11	-2.138	-1.672
H12	0.000	-2.908

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3808	2.3749	2.3749	3.6416	3.6416	4.1336	2.5922	2.5922	4.5086	4.5086	5.2054
C2	1.3808		1.3840	1.3840	2.3836	2.3836	2.7528	2.1316	2.1316	3.3574	3.3574	3.8246
C3	2.3749	1.3840		2.4348	1.3958	2.7993	2.4225	1.0706	3.3934	2.1385	3.8711	3.3922
C4	2.3749	1.3840	2.4348		2.7993	1.3958	2.4225	3.3934	1.0706	3.8711	2.1385	3.3922
C5	3.6416	2.3836	1.3958	2.7993		2.4182	1.3964	2.1623	3.8696	1.0718	3.3897	2.1439
C6	3.6416	2.3836	2.7993	1.3958	2.4182		1.3964	3.8696	2.1623	3.3897	1.0718	2.1439
C7	4.1336	2.7528	2.4225	2.4225	1.3964	1.3964		3.4036	3.4036	2.1445	2.1445	1.0718
H8	2.5922	2.1316	1.0706	3.3934	2.1623	3.8696	3.4036		4.2587	2.4910	4.9413	4.2925
H9	2.5922	2.1316	3.3934	1.0706	3.8696	2.1623	3.4036	4.2587		4.9413	2.4910	4.2925
H10	4.5086	3.3574	2.1385	3.8711	1.0718	3.3897	2.1445	2.4910	4.9413		4.2763	2.4697
H11	4.5086	3.3574	3.8711	2.1385	3.3897	1.0718	2.1445	4.9413	2.4910	4.2763		2.4697
H12	5.2054	3.8246	3.3922	3.3922	2.1439	2.1439	1.0718	4.2925	4.2925	2.4697	2.4697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.405	F1	C2	C4	118.405
C2	C3	C5	118.066	C2	C3	H8	120.002
C2	C4	C6	118.066	C2	C4	H9	120.002
C3	C2	C4	123.189	C3	C5	C7	120.358
C3	C5	H10	119.566	C4	C6	C7	120.358
C4	C6	H11	119.566	C5	C3	H8	121.932
C5	C7	C6	119.962	C5	C7	H12	120.019
C6	C4	H9	121.932	C6	C7	H12	120.019
C7	C5	H10	120.076	C7	C6	H11	120.076

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/LANL2DZ

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	-0.361
2	C	0.429
3	C	-0.335
4	C	-0.335
5	C	-0.164
6	C	-0.164
7	C	-0.229
8	H	0.250
9	H	0.250
10	H	0.219
11	H	0.219
12	H	0.221

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)