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	hartrees
Energy at 0K	-330.001557
Energy at 298.15K	-330.007219
Nuclear repulsion energy	267.333398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3308	3102	0.19
2	A₁	3288	3084	20.44
3	A₁	3262	3059	0.13
4	A₁	1722	1614	35.05
5	A₁	1602	1502	61.21
6	A₁	1300	1219	53.82
7	A₁	1250	1172	8.94
8	A₁	1090	1023	4.53
9	A₁	1067	1000	0.17
10	A₁	847	794	22.07
11	A₁	543	509	4.94
12	A₂	981	920	0.00
13	A₂	872	818	0.00
14	A₂	437	409	0.00
15	B₁	974	913	0.84
16	B₁	918	861	4.91
17	B₁	785	736	126.90
18	B₁	639	599	0.09
19	B₁	509	478	4.68
20	B₁	247	231	0.66
21	B₂	3304	3099	7.07
22	B₂	3274	3071	12.52
23	B₂	1726	1618	9.45
24	B₂	1562	1464	2.93
25	B₂	1412	1325	0.53
26	B₂	1333	1251	0.04
27	B₂	1245	1167	0.23
28	B₂	1145	1073	5.89
29	B₂	662	621	0.08
30	B₂	401	376	4.07

Atom	y (Å)	z (Å)
F1	0.000	2.316
C2	0.000	0.919
C3	1.221	0.257
C4	-1.221	0.257
C5	1.213	-1.144
C6	-1.213	-1.144
C7	0.000	-1.844
H8	2.143	0.823
H9	-2.143	0.823
H10	2.152	-1.683
H11	-2.152	-1.683
H12	0.000	-2.927

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3965	2.3943	2.3943	3.6660	3.6660	4.1599	2.6118	2.6118	4.5415	4.5415	5.2430
C2	1.3965		1.3897	1.3897	2.3931	2.3931	2.7633	2.1451	2.1451	3.3772	3.3772	3.8464
C3	2.3943	1.3897		2.4429	1.4002	2.8084	2.4299	1.0815	3.4116	2.1516	3.8916	3.4099
C4	2.3943	1.3897	2.4429		2.8084	1.4002	2.4299	3.4116	1.0815	3.8916	2.1516	3.4099
C5	3.6660	2.3931	1.4002	2.8084		2.4261	1.4007	2.1750	3.8896	1.0831	3.4082	2.1569
C6	3.6660	2.3931	2.8084	1.4002	2.4261		1.4007	3.8896	2.1750	3.4082	1.0831	2.1569
C7	4.1599	2.7633	2.4299	2.4299	1.4007	1.4007		3.4210	3.4210	2.1581	2.1581	1.0831
H8	2.6118	2.1451	1.0815	3.4116	2.1750	3.8896	3.4210		4.2858	2.5060	4.9727	4.3189
H9	2.6118	2.1451	3.4116	1.0815	3.8896	2.1750	3.4210	4.2858		4.9727	2.5060	4.3189
H10	4.5415	3.3772	2.1516	3.8916	1.0831	3.4082	2.1581	2.5060	4.9727		4.3043	2.4857
H11	4.5415	3.3772	3.8916	2.1516	3.4082	1.0831	2.1581	4.9727	2.5060	4.3043		2.4857
H12	5.2430	3.8464	3.4099	3.4099	2.1569	2.1569	1.0831	4.3189	4.3189	2.4857	2.4857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.484	F1	C2	C4	118.484
C2	C3	C5	118.141	C2	C3	H8	119.951
C2	C4	C6	118.141	C2	C4	H9	119.951
C3	C2	C4	123.032	C3	C5	C7	120.344
C3	C5	H10	119.546	C4	C6	C7	120.344
C4	C6	H11	119.546	C5	C3	H8	121.908
C5	C7	C6	119.998	C5	C7	H12	120.001
C6	C4	H9	121.908	C6	C7	H12	120.001
C7	C5	H10	120.110	C7	C6	H11	120.110

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: CISD/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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All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)