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	hartrees
Energy at 0K	-330.549189
Energy at 298.15K	-330.554608
HF Energy	-329.562424
Nuclear repulsion energy	269.163764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3081	0.11
2	A₁	3286	3070	14.80
3	A₁	3264	3050	0.13
4	A₁	1685	1575	44.67
5	A₁	1562	1460	75.62
6	A₁	1292	1207	79.85
7	A₁	1202	1124	7.18
8	A₁	1058	989	3.59
9	A₁	1028	961	0.24
10	A₁	833	778	20.00
11	A₁	524	490	3.38
12	A₂	921	860	0.00
13	A₂	831	776	0.00
14	A₂	410	383	0.00
15	B₁	919	859	0.49
16	B₁	871	814	3.23
17	B₁	753	704	85.63
18	B₁	533	498	0.80
19	B₁	480	448	4.07
20	B₁	238	222	0.08
21	B₂	3296	3080	4.24
22	B₂	3273	3058	9.03
23	B₂	1685	1574	6.25
24	B₂	1516	1417	1.36
25	B₂	1472	1376	0.57
26	B₂	1348	1260	0.22
27	B₂	1207	1128	0.20
28	B₂	1112	1039	6.41
29	B₂	627	586	0.07
30	B₂	404	378	2.38

Atom	y (Å)	z (Å)
F1	0.000	2.284
C2	0.000	0.928
C3	1.216	0.259
C4	-1.216	0.259
C5	1.207	-1.135
C6	-1.207	-1.135
C7	0.000	-1.834
H8	2.136	0.826
H9	-2.136	0.826
H10	2.146	-1.672
H11	-2.146	-1.672
H12	0.000	-2.915

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3561	2.3621	2.3621	3.6260	3.6260	4.1179	2.5859	2.5859	4.5008	4.5008	5.1987
C2	1.3561		1.3880	1.3880	2.3903	2.3903	2.7618	2.1380	2.1380	3.3713	3.3713	3.8426
C3	2.3621	1.3880		2.4324	1.3943	2.7960	2.4207	1.0801	3.3994	2.1436	3.8773	3.3989
C4	2.3621	1.3880	2.4324		2.7960	1.3943	2.4207	3.3994	1.0801	3.8773	2.1436	3.3989
C5	3.6260	2.3903	1.3943	2.7960		2.4147	1.3950	2.1696	3.8757	1.0813	3.3958	2.1505
C6	3.6260	2.3903	2.7960	1.3943	2.4147		1.3950	3.8757	2.1696	3.3958	1.0813	2.1505
C7	4.1179	2.7618	2.4207	2.4207	1.3950	1.3950		3.4110	3.4110	2.1517	2.1517	1.0809
H8	2.5859	2.1380	1.0801	3.3994	2.1696	3.8757	3.4110		4.2712	2.4984	4.9569	4.3073
H9	2.5859	2.1380	3.3994	1.0801	3.8757	2.1696	3.4110	4.2712		4.9569	2.4984	4.3073
H10	4.5008	3.3713	2.1436	3.8773	1.0813	3.3958	2.1517	2.4984	4.9569		4.2914	2.4794
H11	4.5008	3.3713	3.8773	2.1436	3.3958	1.0813	2.1517	4.9569	2.4984	4.2914		2.4794
H12	5.1987	3.8426	3.3989	3.3989	2.1505	2.1505	1.0809	4.3073	4.3073	2.4794	2.4794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.806	F1	C2	C4	118.806
C2	C3	C5	118.442	C2	C3	H8	119.540
C2	C4	C6	118.442	C2	C4	H9	119.540
C3	C2	C4	122.389	C3	C5	C7	120.424
C3	C5	H10	119.434	C4	C6	C7	120.424
C4	C6	H11	119.434	C5	C3	H8	122.018
C5	C7	C6	119.880	C5	C7	H12	120.060
C6	C4	H9	122.018	C6	C7	H12	120.060
C7	C5	H10	120.142	C7	C6	H11	120.142

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)