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	hartrees
Energy at 0K	-330.500065
Energy at 298.15K	-330.505513
HF Energy	-329.553186
Nuclear repulsion energy	269.065571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3071	0.01
2	A₁	3259	3059	16.55
3	A₁	3237	3038	0.02
4	A₁	1711	1606	47.35
5	A₁	1582	1484	83.41
6	A₁	1310	1230	77.36
7	A₁	1214	1140	5.75
8	A₁	1069	1003	4.32
9	A₁	1038	975	0.32
10	A₁	842	791	21.18
11	A₁	531	498	3.84
12	A₂	918	862	0.00
13	A₂	831	780	0.00
14	A₂	414	389	0.00
15	B₁	911	855	1.27
16	B₁	868	815	3.39
17	B₁	755	709	97.54
18	B₁	555	521	0.27
19	B₁	491	461	5.34
20	B₁	242	227	0.10
21	B₂	3271	3070	5.01
22	B₂	3246	3047	9.71
23	B₂	1708	1603	7.44
24	B₂	1533	1439	2.30
25	B₂	1365	1281	0.70
26	B₂	1323	1242	0.17
27	B₂	1208	1134	0.41
28	B₂	1122	1053	7.05
29	B₂	636	597	0.08
30	B₂	410	385	2.61

Atom	y (Å)	z (Å)
F1	0.000	2.281
C2	0.000	0.927
C3	1.218	0.261
C4	-1.218	0.261
C5	1.208	-1.134
C6	-1.208	-1.134
C7	0.000	-1.833
H8	2.141	0.830
H9	-2.141	0.830
H10	2.150	-1.675
H11	-2.150	-1.675
H12	0.000	-2.919

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3536	2.3588	2.3588	3.6228	3.6228	4.1145	2.5863	2.5863	4.5024	4.5024	5.2002
C2	1.3536		1.3881	1.3881	2.3897	2.3897	2.7609	2.1431	2.1431	3.3756	3.3756	3.8466
C3	2.3588	1.3881		2.4351	1.3952	2.7982	2.4224	1.0847	3.4063	2.1485	3.8843	3.4051
C4	2.3588	1.3881	2.4351		2.7982	1.3952	2.4224	3.4063	1.0847	3.8843	2.1485	3.4051
C5	3.6228	2.3897	1.3952	2.7982		2.4162	1.3958	2.1746	3.8826	1.0861	3.4015	2.1552
C6	3.6228	2.3897	2.7982	1.3952	2.4162		1.3958	3.8826	2.1746	3.4015	1.0861	2.1552
C7	4.1145	2.7609	2.4224	2.4224	1.3958	1.3958		3.4172	3.4172	2.1560	2.1560	1.0857
H8	2.5863	2.1431	1.0847	3.4063	2.1746	3.8826	3.4172		4.2818	2.5048	4.9686	4.3174
H9	2.5863	2.1431	3.4063	1.0847	3.8826	2.1746	3.4172	4.2818		4.9686	2.5048	4.3174
H10	4.5024	3.3756	2.1485	3.8843	1.0861	3.4015	2.1560	2.5048	4.9686		4.3004	2.4843
H11	4.5024	3.3756	3.8843	2.1485	3.4015	1.0861	2.1560	4.9686	2.5048	4.3004		2.4843
H12	5.2002	3.8466	3.4051	3.4051	2.1552	2.1552	1.0857	4.3174	4.3174	2.4843	2.4843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.704	F1	C2	C4	118.704
C2	C3	C5	118.316	C2	C3	H8	119.641
C2	C4	C6	118.316	C2	C4	H9	119.641
C3	C2	C4	122.593	C3	C5	C7	120.444
C3	C5	H10	119.451	C4	C6	C7	120.444
C4	C6	H11	119.451	C5	C3	H8	122.043
C5	C7	C6	119.888	C5	C7	H12	120.056
C6	C4	H9	122.043	C6	C7	H12	120.056
C7	C5	H10	120.105	C7	C6	H11	120.105

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)