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	hartrees
Energy at 0K	-330.596340
Energy at 298.15K	-330.601736
HF Energy	-329.574640
Nuclear repulsion energy	269.115849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3314	3087	0.34
2	A₁	3302	3077	15.47
3	A₁	3281	3056	0.03
4	A₁	1703	1586	51.26
5	A₁	1578	1470	75.97
6	A₁	1288	1200	99.30
7	A₁	1210	1127	9.14
8	A₁	1065	992	6.04
9	A₁	1035	964	0.37
10	A₁	836	779	25.80
11	A₁	529	493	4.95
12	A₂	937	873	0.00
13	A₂	835	778	0.00
14	A₂	405	377	0.00
15	B₁	921	858	1.06
16	B₁	879	819	3.60
17	B₁	756	705	113.14
18	B₁	514	479	7.52
19	B₁	445	414	2.17
20	B₁	233	217	0.06
21	B₂	3312	3085	5.11
22	B₂	3290	3065	8.49
23	B₂	1705	1588	6.83
24	B₂	1532	1427	0.91
25	B₂	1372	1278	0.91
26	B₂	1330	1239	0.00
27	B₂	1202	1120	0.15
28	B₂	1118	1042	7.10
29	B₂	634	590	0.14
30	B₂	409	381	2.71

Atom	y (Å)	z (Å)
F1	0.000	2.283
C2	0.000	0.931
C3	1.218	0.261
C4	-1.218	0.261
C5	1.209	-1.136
C6	-1.209	-1.136
C7	0.000	-1.837
H8	2.138	0.825
H9	-2.138	0.825
H10	2.146	-1.673
H11	-2.146	-1.673
H12	0.000	-2.916

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3519	2.3605	2.3605	3.6262	3.6262	4.1195	2.5879	2.5879	4.5001	4.5001	5.1990
C2	1.3519		1.3902	1.3902	2.3945	2.3945	2.7676	2.1407	2.1407	3.3741	3.3741	3.8471
C3	2.3605	1.3902		2.4360	1.3968	2.8002	2.4256	1.0791	3.4032	2.1447	3.8802	3.4026
C4	2.3605	1.3902	2.4360		2.8002	1.3968	2.4256	3.4032	1.0791	3.8802	2.1447	3.4026
C5	3.6262	2.3945	1.3968	2.8002		2.4179	1.3974	2.1697	3.8790	1.0800	3.3977	2.1520
C6	3.6262	2.3945	2.8002	1.3968	2.4179		1.3974	3.8790	2.1697	3.3977	1.0800	2.1520
C7	4.1195	2.7676	2.4256	2.4256	1.3974	1.3974		3.4139	3.4139	2.1524	2.1524	1.0795
H8	2.5879	2.1407	1.0791	3.4032	2.1697	3.8790	3.4139		4.2762	2.4974	4.9590	4.3089
H9	2.5879	2.1407	3.4032	1.0791	3.8790	2.1697	3.4139	4.2762		4.9590	2.4974	4.3089
H10	4.5001	3.3741	2.1447	3.8802	1.0800	3.3977	2.1524	2.4974	4.9590		4.2922	2.4804
H11	4.5001	3.3741	3.8802	2.1447	3.3977	1.0800	2.1524	4.9590	2.4974	4.2922		2.4804
H12	5.1990	3.8471	3.4026	3.4026	2.1520	2.1520	1.0795	4.3089	4.3089	2.4804	2.4804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.816	F1	C2	C4	118.816
C2	C3	C5	118.444	C2	C3	H8	119.680
C2	C4	C6	118.444	C2	C4	H9	119.680
C3	C2	C4	122.367	C3	C5	C7	120.470
C3	C5	H10	119.428	C4	C6	C7	120.470
C4	C6	H11	119.428	C5	C3	H8	121.875
C5	C7	C6	119.803	C5	C7	H12	120.098
C6	C4	H9	121.875	C6	C7	H12	120.098
C7	C5	H10	120.101	C7	C6	H11	120.101

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP3=FULL/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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All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)