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	hartrees
Energy at 0K	-330.650372
Energy at 298.15K	-330.655705
HF Energy	-329.630513
Nuclear repulsion energy	268.695172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3082	0.41
2	A₁	3233	3072	13.09
3	A₁	3211	3051	0.21
4	A₁	1652	1569	49.70
5	A₁	1528	1452	82.36
6	A₁	1270	1207	85.45
7	A₁	1177	1118	7.64
8	A₁	1039	988	4.16
9	A₁	1012	962	0.19
10	A₁	821	780	21.98
11	A₁	519	493	3.61
12	A₂	906	861	0.00
13	A₂	817	776	0.00
14	A₂	402	382	0.00
15	B₁	896	852	0.99
16	B₁	860	817	4.94
17	B₁	745	708	95.45
18	B₁	525	499	8.09
19	B₁	428	407	2.17
20	B₁	232	220	0.03
21	B₂	3242	3081	3.89
22	B₂	3221	3060	7.59
23	B₂	1651	1569	6.74
24	B₂	1483	1410	1.27
25	B₂	1451	1378	0.83
26	B₂	1321	1255	0.32
27	B₂	1178	1119	0.18
28	B₂	1090	1036	7.82
29	B₂	617	586	0.10
30	B₂	403	383	2.39

Atom	y (Å)	z (Å)
F1	0.000	2.283
C2	0.000	0.935
C3	1.218	0.261
C4	-1.218	0.261
C5	1.210	-1.137
C6	-1.210	-1.137
C7	0.000	-1.839
H8	2.142	0.831
H9	-2.142	0.831
H10	2.154	-1.675
H11	-2.154	-1.675
H12	0.000	-2.924

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3481	2.3600	2.3600	3.6276	3.6276	4.1212	2.5873	2.5873	4.5061	4.5061	5.2067
C2	1.3481		1.3918	1.3918	2.3993	2.3993	2.7731	2.1441	2.1441	3.3838	3.3838	3.8586
C3	2.3600	1.3918		2.4363	1.3984	2.8025	2.4276	1.0850	3.4077	2.1509	3.8884	3.4103
C4	2.3600	1.3918	2.4363		2.8025	1.3984	2.4276	3.4077	1.0850	3.8884	2.1509	3.4103
C5	3.6276	2.3993	1.3984	2.8025		2.4210	1.3991	2.1771	3.8871	1.0860	3.4069	2.1584
C6	3.6276	2.3993	2.8025	1.3984	2.4210		1.3991	3.8871	2.1771	3.4069	1.0860	2.1584
C7	4.1212	2.7731	2.4276	2.4276	1.3991	1.3991		3.4223	3.4223	2.1597	2.1597	1.0855
H8	2.5873	2.1441	1.0850	3.4077	2.1771	3.8871	3.4223		4.2832	2.5064	4.9730	4.3227
H9	2.5873	2.1441	3.4077	1.0850	3.8871	2.1771	3.4223	4.2832		4.9730	2.5064	4.3227
H10	4.5061	3.3838	2.1509	3.8884	1.0860	3.4069	2.1597	2.5064	4.9730		4.3071	2.4893
H11	4.5061	3.3838	3.8884	2.1509	3.4069	1.0860	2.1597	4.9730	2.5064	4.3071		2.4893
H12	5.2067	3.8586	3.4103	3.4103	2.1584	2.1584	1.0855	4.3227	4.3227	2.4893	2.4893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.928	F1	C2	C4	118.928
C2	C3	C5	118.613	C2	C3	H8	119.405
C2	C4	C6	118.613	C2	C4	H9	119.405
C3	C2	C4	122.145	C3	C5	C7	120.408
C3	C5	H10	119.410	C4	C6	C7	120.408
C4	C6	H11	119.410	C5	C3	H8	121.982
C5	C7	C6	119.813	C5	C7	H12	120.093
C6	C4	H9	121.982	C6	C7	H12	120.093
C7	C5	H10	120.182	C7	C6	H11	120.182

All results from a given calculation for C₆H₅F (Fluorobenzene)

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

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)