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	hartrees
Energy at 0K	-330.563461
Energy at 298.15K	-330.568833
HF Energy	-329.574180
Nuclear repulsion energy	268.710537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3100	0.17
2	A₁	3277	3088	17.09
3	A₁	3256	3068	0.02
4	A₁	1698	1600	48.11
5	A₁	1571	1481	73.23
6	A₁	1280	1206	97.08
7	A₁	1205	1136	9.10
8	A₁	1062	1000	5.72
9	A₁	1034	974	0.30
10	A₁	832	784	26.01
11	A₁	527	496	4.87
12	A₂	930	876	0.00
13	A₂	828	780	0.00
14	A₂	403	380	0.00
15	B₁	916	863	0.96
16	B₁	872	822	3.34
17	B₁	750	707	111.10
18	B₁	509	479	6.85
19	B₁	450	424	2.40
20	B₁	232	218	0.07
21	B₂	3288	3098	5.77
22	B₂	3265	3077	9.48
23	B₂	1702	1604	6.10
24	B₂	1526	1438	0.91
25	B₂	1367	1288	0.81
26	B₂	1329	1253	0.00
27	B₂	1199	1130	0.13
28	B₂	1114	1050	6.50
29	B₂	631	594	0.11
30	B₂	407	383	2.85

Atom	y (Å)	z (Å)
F1	0.000	2.287
C2	0.000	0.924
C3	1.220	0.261
C4	-1.220	0.261
C5	1.210	-1.136
C6	-1.210	-1.136
C7	0.000	-1.836
H8	2.140	0.828
H9	-2.140	0.828
H10	2.148	-1.675
H11	-2.148	-1.675
H12	0.000	-2.918

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3627	2.3649	2.3649	3.6309	3.6309	4.1231	2.5907	2.5907	4.5070	4.5070	5.2049
C2	1.3627		1.3885	1.3885	2.3896	2.3896	2.7604	2.1426	2.1426	3.3722	3.3722	3.8422
C3	2.3649	1.3885		2.4397	1.3974	2.8028	2.4260	1.0810	3.4077	2.1471	3.8849	3.4049
C4	2.3649	1.3885	2.4397		2.8028	1.3974	2.4260	3.4077	1.0810	3.8849	2.1471	3.4049
C5	3.6309	2.3896	1.3974	2.8028		2.4196	1.3975	2.1733	3.8834	1.0821	3.4010	2.1534
C6	3.6309	2.3896	2.8028	1.3974	2.4196		1.3975	3.8834	2.1733	3.4010	1.0821	2.1534
C7	4.1231	2.7604	2.4260	2.4260	1.3975	1.3975		3.4170	3.4170	2.1544	2.1544	1.0818
H8	2.5907	2.1426	1.0810	3.4077	2.1733	3.8834	3.4170		4.2809	2.5025	4.9655	4.3139
H9	2.5907	2.1426	3.4077	1.0810	3.8834	2.1733	3.4170	4.2809		4.9655	2.5025	4.3139
H10	4.5070	3.3722	2.1471	3.8849	1.0821	3.4010	2.1544	2.5025	4.9655		4.2967	2.4820
H11	4.5070	3.3722	3.8849	2.1471	3.4010	1.0821	2.1544	4.9655	2.5025	4.2967		2.4820
H12	5.2049	3.8422	3.4049	3.4049	2.1534	2.1534	1.0818	4.3139	4.3139	2.4820	2.4820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.537	F1	C2	C4	118.537
C2	C3	C5	118.124	C2	C3	H8	119.855
C2	C4	C6	118.124	C2	C4	H9	119.855
C3	C2	C4	122.927	C3	C5	C7	120.454
C3	C5	H10	119.436	C4	C6	C7	120.454
C4	C6	H11	119.436	C5	C3	H8	122.021
C5	C7	C6	119.916	C5	C7	H12	120.042
C6	C4	H9	122.021	C6	C7	H12	120.042
C7	C5	H10	120.110	C7	C6	H11	120.110

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: CCD/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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)