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	hartrees
Energy at 0K	-330.126286
Energy at 298.15K	-330.131612
HF Energy	-329.442465
Nuclear repulsion energy	264.723042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3075	0.09
2	A₁	3172	3056	23.34
3	A₁	3146	3031	0.12
4	A₁	1639	1579	28.46
5	A₁	1536	1480	47.73
6	A₁	1242	1197	42.88
7	A₁	1203	1159	10.32
8	A₁	1047	1009	3.43
9	A₁	1021	984	0.48
10	A₁	809	779	18.23
11	A₁	519	500	4.21
12	A₂	892	860	0.00
13	A₂	810	780	0.00
14	A₂	408	393	0.00
15	B₁	886	854	1.07
16	B₁	844	813	1.89
17	B₁	730	703	112.15
18	B₁	545	525	0.38
19	B₁	473	455	3.76
20	B₁	232	223	0.53
21	B₂	3188	3072	9.57
22	B₂	3158	3043	13.44
23	B₂	1643	1584	7.19
24	B₂	1498	1444	2.14
25	B₂	1356	1307	0.35
26	B₂	1282	1236	0.05
27	B₂	1204	1160	0.19
28	B₂	1099	1059	5.16
29	B₂	635	612	0.05
30	B₂	383	369	3.97

Atom	y (Å)	z (Å)
F1	0.000	2.340
C2	0.000	0.926
C3	1.234	0.259
C4	-1.234	0.259
C5	1.225	-1.155
C6	-1.225	-1.155
C7	0.000	-1.861
H8	2.163	0.830
H9	-2.163	0.830
H10	2.173	-1.700
H11	-2.173	-1.700
H12	0.000	-2.954

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.4139	2.4196	2.4196	3.7036	3.7036	4.2016	2.6384	2.6384	4.5870	4.5870	5.2946
C2	1.4139		1.4026	1.4026	2.4150	2.4150	2.7877	2.1656	2.1656	3.4082	3.4082	3.8807
C3	2.4196	1.4026		2.4671	1.4136	2.8360	2.4528	1.0913	3.4447	2.1718	3.9291	3.4417
C4	2.4196	1.4026	2.4671		2.8360	1.4136	2.4528	3.4447	1.0913	3.9291	2.1718	3.4417
C5	3.7036	2.4150	1.4136	2.8360		2.4500	1.4141	2.1955	3.9270	1.0931	3.4411	2.1769
C6	3.7036	2.4150	2.8360	1.4136	2.4500		1.4141	3.9270	2.1955	3.4411	1.0931	2.1769
C7	4.2016	2.7877	2.4528	2.4528	1.4141	1.4141		3.4530	3.4530	2.1787	2.1787	1.0930
H8	2.6384	2.1656	1.0913	3.4447	2.1955	3.9270	3.4530		4.3268	2.5295	5.0200	4.3591
H9	2.6384	2.1656	3.4447	1.0913	3.9270	2.1955	3.4530	4.3268		5.0200	2.5295	4.3591
H10	4.5870	3.4082	2.1718	3.9291	1.0931	3.4411	2.1787	2.5295	5.0200		4.3455	2.5091
H11	4.5870	3.4082	3.9291	2.1718	3.4411	1.0931	2.1787	5.0200	2.5295	4.3455		2.5091
H12	5.2946	3.8807	3.4417	3.4417	2.1769	2.1769	1.0930	4.3591	4.3591	2.5091	2.5091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.424	F1	C2	C4	118.424
C2	C3	C5	118.078	C2	C3	H8	120.012
C2	C4	C6	118.078	C2	C4	H9	120.012
C3	C2	C4	123.152	C3	C5	C7	120.318
C3	C5	H10	119.539	C4	C6	C7	120.318
C4	C6	H11	119.539	C5	C3	H8	121.910
C5	C7	C6	120.057	C5	C7	H12	119.971
C6	C4	H9	121.910	C6	C7	H12	119.971
C7	C5	H10	120.144	C7	C6	H11	120.144

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)