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	hartrees
Energy at 0K	-330.745700
Energy at 298.15K	-330.751044
HF Energy	-329.621530
Nuclear repulsion energy	268.892784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3072	0.69
2	A₁	3234	3063	14.74
3	A₁	3213	3043	0.16
4	A₁	1661	1573	49.94
5	A₁	1539	1458	87.38
6	A₁	1274	1207	82.04
7	A₁	1189	1126	8.64
8	A₁	1046	991	5.25
9	A₁	1019	965	0.10
10	A₁	825	781	23.05
11	A₁	522	494	3.80
12	A₂	880	834	0.00
13	A₂	812	769	0.00
14	A₂	407	386	0.00
15	B₁	871	825	3.54
16	B₁	851	806	6.79
17	B₁	746	707	106.52
18	B₁	539	510	10.28
19	B₁	448	425	3.59
20	B₁	235	222	0.02
21	B₂	3242	3070	5.15
22	B₂	3222	3051	8.12
23	B₂	1660	1572	7.17
24	B₂	1494	1415	2.11
25	B₂	1459	1382	0.69
26	B₂	1333	1262	0.38
27	B₂	1193	1130	0.22
28	B₂	1099	1041	8.98
29	B₂	621	589	0.11
30	B₂	404	383	2.44

Atom	y (Å)	z (Å)
F1	0.000	2.281
C2	0.000	0.933
C3	1.217	0.261
C4	-1.217	0.261
C5	1.209	-1.136
C6	-1.209	-1.136
C7	0.000	-1.837
H8	2.142	0.829
H9	-2.142	0.829
H10	2.153	-1.675
H11	-2.153	-1.675
H12	0.000	-2.922

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3477	2.3582	2.3582	3.6248	3.6248	4.1177	2.5874	2.5874	4.5035	4.5035	5.2035
C2	1.3477		1.3903	1.3903	2.3969	2.3969	2.7701	2.1443	2.1443	3.3817	3.3817	3.8558
C3	2.3582	1.3903		2.4341	1.3972	2.8000	2.4253	1.0853	3.4065	2.1501	3.8862	3.4083
C4	2.3582	1.3903	2.4341		2.8000	1.3972	2.4253	3.4065	1.0853	3.8862	2.1501	3.4083
C5	3.6248	2.3969	1.3972	2.8000		2.4189	1.3977	2.1753	3.8850	1.0862	3.4050	2.1573
C6	3.6248	2.3969	2.8000	1.3972	2.4189		1.3977	3.8850	2.1753	3.4050	1.0862	2.1573
C7	4.1177	2.7701	2.4253	2.4253	1.3977	1.3977		3.4198	3.4198	2.1587	2.1587	1.0858
H8	2.5874	2.1443	1.0853	3.4065	2.1753	3.8850	3.4198		4.2836	2.5040	4.9711	4.3201
H9	2.5874	2.1443	3.4065	1.0853	3.8850	2.1753	3.4198	4.2836		4.9711	2.5040	4.3201
H10	4.5035	3.3817	2.1501	3.8862	1.0862	3.4050	2.1587	2.5040	4.9711		4.3053	2.4881
H11	4.5035	3.3817	3.8862	2.1501	3.4050	1.0862	2.1587	4.9711	2.5040	4.3053		2.4881
H12	5.2035	3.8558	3.4083	3.4083	2.1573	2.1573	1.0858	4.3201	4.3201	2.4881	2.4881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.914	F1	C2	C4	118.914
C2	C3	C5	118.603	C2	C3	H8	119.520
C2	C4	C6	118.603	C2	C4	H9	119.520
C3	C2	C4	122.172	C3	C5	C7	120.396
C3	C5	H10	119.419	C4	C6	C7	120.396
C4	C6	H11	119.419	C5	C3	H8	121.877
C5	C7	C6	119.831	C5	C7	H12	120.085
C6	C4	H9	121.877	C6	C7	H12	120.085
C7	C5	H10	120.185	C7	C6	H11	120.185

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2=FULL/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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All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)