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	hartrees
Energy at 0K	-331.301124
Energy at 298.15K	-331.306533
HF Energy	-331.301124
Nuclear repulsion energy	267.427969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3115	0.14
2	A₁	3156	3101	26.55
3	A₁	3133	3079	0.12
4	A₁	1601	1574	48.21
5	A₁	1493	1467	74.41
6	A₁	1208	1187	104.42
7	A₁	1155	1135	21.36
8	A₁	1021	1003	5.39
9	A₁	996	979	0.02
10	A₁	801	788	30.32
11	A₁	511	503	6.10
12	A₂	934	918	0.00
13	A₂	799	785	0.00
14	A₂	408	401	0.00
15	B₁	953	937	0.12
16	B₁	873	858	7.17
17	B₁	737	724	80.98
18	B₁	666	654	15.86
19	B₁	489	481	11.15
20	B₁	228	224	0.04
21	B₂	3169	3114	9.40
22	B₂	3142	3088	15.02
23	B₂	1611	1583	8.34
24	B₂	1456	1431	0.46
25	B₂	1356	1333	0.01
26	B₂	1301	1279	0.80
27	B₂	1161	1141	0.15
28	B₂	1072	1053	7.58
29	B₂	612	601	0.21
30	B₂	395	389	1.94

Atom	y (Å)	z (Å)
F1	0.000	2.299
C2	0.000	0.931
C3	1.225	0.261
C4	-1.225	0.261
C5	1.214	-1.142
C6	-1.214	-1.142
C7	0.000	-1.845
H8	2.153	0.829
H9	-2.153	0.829
H10	2.160	-1.683
H11	-2.160	-1.683
H12	0.000	-2.934

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3679	2.3771	2.3771	3.6484	3.6484	4.1436	2.6070	2.6070	4.5297	4.5297	5.2329
C2	1.3679		1.3959	1.3959	2.4021	2.4021	2.7758	2.1558	2.1558	3.3908	3.3908	3.8650
C3	2.3771	1.3959		2.4499	1.4032	2.8141	2.4367	1.0882	3.4257	2.1574	3.9039	3.4224
C4	2.3771	1.3959	2.4499		2.8141	1.4032	2.4367	3.4257	1.0882	3.9039	2.1574	3.4224
C5	3.6484	2.4021	1.4032	2.8141		2.4289	1.4034	2.1830	3.9020	1.0898	3.4180	2.1652
C6	3.6484	2.4021	2.8141	1.4032	2.4289		1.4034	3.9020	2.1830	3.4180	1.0898	2.1652
C7	4.1436	2.7758	2.4367	2.4367	1.4034	1.4034		3.4333	3.4333	2.1665	2.1665	1.0893
H8	2.6070	2.1558	1.0882	3.4257	2.1830	3.9020	3.4333		4.3067	2.5117	4.9918	4.3359
H9	2.6070	2.1558	3.4257	1.0882	3.9020	2.1830	3.4333	4.3067		4.9918	2.5117	4.3359
H10	4.5297	3.3908	2.1574	3.9039	1.0898	3.4180	2.1665	2.5117	4.9918		4.3209	2.4968
H11	4.5297	3.3908	3.9039	2.1574	3.4180	1.0898	2.1665	4.9918	2.5117	4.3209		2.4968
H12	5.2329	3.8650	3.4224	3.4224	2.1652	2.1652	1.0893	4.3359	4.3359	2.4968	2.4968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.765	F1	C2	C4	118.765
C2	C3	C5	118.360	C2	C3	H8	119.770
C2	C4	C6	118.360	C2	C4	H9	119.770
C3	C2	C4	122.470	C3	C5	C7	120.488
C3	C5	H10	119.362	C4	C6	C7	120.488
C4	C6	H11	119.362	C5	C3	H8	121.870
C5	C7	C6	119.834	C5	C7	H12	120.083
C6	C4	H9	121.870	C6	C7	H12	120.083
C7	C5	H10	120.150	C7	C6	H11	120.150

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: B97D3/6-31+G**

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	-0.318
2	C	-0.160
3	C	0.129
4	C	0.129
5	C	-0.191
6	C	-0.191
7	C	-0.116
8	H	0.149
9	H	0.149
10	H	0.141
11	H	0.141
12	H	0.137

<r²>	184.356
(<r²>)^1/2	13.578

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)