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	hartrees
Energy at 0K	-331.498631
Energy at 298.15K	-331.504086
Nuclear repulsion energy	267.818559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	3118	0.12
2	A₁	3116	3107	21.74
3	A₁	3095	3086	0.20
4	A₁	1572	1567	38.83
5	A₁	1480	1476	66.95
6	A₁	1198	1194	87.15
7	A₁	1147	1144	22.33
8	A₁	1012	1008	2.38
9	A₁	995	992	1.00
10	A₁	798	796	25.57
11	A₁	511	510	5.65
12	A₂	939	936	0.00
13	A₂	804	802	0.00
14	A₂	413	412	0.00
15	B₁	958	955	0.11
16	B₁	881	878	6.51
17	B₁	745	742	60.38
18	B₁	681	679	17.48
19	B₁	494	492	9.35
20	B₁	229	229	0.06
21	B₂	3125	3116	8.32
22	B₂	3103	3094	11.42
23	B₂	1581	1577	8.44
24	B₂	1448	1443	1.03
25	B₂	1314	1310	0.14
26	B₂	1296	1292	0.31
27	B₂	1156	1152	0.31
28	B₂	1062	1059	6.90
29	B₂	613	611	0.19
30	B₂	392	391	1.68

Atom	y (Å)	z (Å)
F1	0.000	2.298
C2	0.000	0.930
C3	1.221	0.260
C4	-1.221	0.260
C5	1.212	-1.141
C6	-1.212	-1.141
C7	0.000	-1.843
H8	2.148	0.827
H9	-2.148	0.827
H10	2.156	-1.681
H11	-2.156	-1.681
H12	0.000	-2.930

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3681	2.3766	2.3766	3.6465	3.6465	4.1409	2.6037	2.6037	4.5262	4.5262	5.2282
C2	1.3681		1.3934	1.3934	2.3997	2.3997	2.7729	2.1506	2.1506	3.3866	3.3866	3.8602
C3	2.3766	1.3934		2.4426	1.4004	2.8075	2.4312	1.0867	3.4169	2.1542	3.8953	3.4153
C4	2.3766	1.3934	2.4426		2.8075	1.4004	2.4312	3.4169	1.0867	3.8953	2.1542	3.4153
C5	3.6465	2.3997	1.4004	2.8075		2.4240	1.4005	2.1791	3.8939	1.0878	3.4112	2.1610
C6	3.6465	2.3997	2.8075	1.4004	2.4240		1.4005	3.8939	2.1791	3.4112	1.0878	2.1610
C7	4.1409	2.7729	2.4312	2.4312	1.4005	1.4005		3.4265	3.4265	2.1621	2.1621	1.0873
H8	2.6037	2.1506	1.0867	3.4169	2.1791	3.8939	3.4265		4.2963	2.5083	4.9817	4.3276
H9	2.6037	2.1506	3.4169	1.0867	3.8939	2.1791	3.4265	4.2963		4.9817	2.5083	4.3276
H10	4.5262	3.3866	2.1542	3.8953	1.0878	3.4112	2.1621	2.5083	4.9817		4.3122	2.4915
H11	4.5262	3.3866	3.8953	2.1542	3.4112	1.0878	2.1621	4.9817	2.5083	4.3122		2.4915
H12	5.2282	3.8602	3.4153	3.4153	2.1610	2.1610	1.0873	4.3276	4.3276	2.4915	2.4915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.775	F1	C2	C4	118.775
C2	C3	C5	118.395	C2	C3	H8	119.748
C2	C4	C6	118.395	C2	C4	H9	119.748
C3	C2	C4	122.450	C3	C5	C7	120.452
C3	C5	H10	119.410	C4	C6	C7	120.452
C4	C6	H11	119.410	C5	C3	H8	121.857
C5	C7	C6	119.857	C5	C7	H12	120.071
C6	C4	H9	121.857	C6	C7	H12	120.071
C7	C5	H10	120.138	C7	C6	H11	120.138

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: BLYP/cc-pVTZ

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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Number	Element	Mulliken
1	F	-0.174
2	C	0.274
3	C	-0.162
4	C	-0.162
5	C	-0.082
6	C	-0.082
7	C	-0.095
8	H	0.100
9	H	0.100
10	H	0.095
11	H	0.095
12	H	0.091

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)