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	hartrees
Energy at 0K	-60.553487
Energy at 298.15K	-60.558926
HF Energy	-59.682662
Nuclear repulsion energy	135.051131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3079	1.40
2	A₁	3228	3064	16.59
3	A₁	3192	3031	0.20
4	A₁	1662	1578	48.74
5	A₁	1522	1445	91.34
6	A₁	1249	1186	91.30
7	A₁	1175	1115	10.16
8	A₁	1039	987	8.77
9	A₁	1005	955	1.30
10	A₁	809	768	26.32
11	A₁	504	478	3.58
12	A₂	940	892	0.00
13	A₂	844	802	0.00
14	A₂	416	395	0.00
15	B₁	926	879	0.23
16	B₁	897	851	8.73
17	B₁	778	738	137.66
18	B₁	640	608	4.55
19	B₁	501	476	9.87
20	B₁	237	225	0.06
21	B₂	3241	3077	7.57
22	B₂	3208	3046	9.88
23	B₂	1668	1584	6.08
24	B₂	1490	1415	0.04
25	B₂	1478	1404	1.98
26	B₂	1318	1251	0.81
27	B₂	1175	1115	0.04
28	B₂	1090	1035	9.76
29	B₂	602	572	0.15
30	B₂	396	376	2.40

Atom	y (Å)	z (Å)
F1	0.000	2.312
C2	0.000	0.944
C3	1.243	0.269
C4	-1.243	0.269
C5	1.231	-1.153
C6	-1.231	-1.153
C7	0.000	-1.865
H8	2.176	0.842
H9	-2.176	0.842
H10	2.182	-1.698
H11	-2.182	-1.698
H12	0.000	-2.960

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3682	2.3922	2.3922	3.6774	3.6774	4.1770	2.6260	2.6260	4.5653	4.5653	5.2722
C2	1.3682		1.4150	1.4150	2.4316	2.4316	2.8087	2.1780	2.1780	3.4264	3.4264	3.9040
C3	2.3922	1.4150		2.4868	1.4215	2.8538	2.4692	1.0942	3.4666	2.1789	3.9497	3.4597
C4	2.3922	1.4150	2.4868		2.8538	1.4215	2.4692	3.4666	1.0942	3.9497	2.1789	3.4597
C5	3.6774	2.4316	1.4215	2.8538		2.4624	1.4222	2.2067	3.9476	1.0959	3.4564	2.1866
C6	3.6774	2.4316	2.8538	1.4215	2.4624		1.4222	3.9476	2.2067	3.4564	1.0959	2.1866
C7	4.1770	2.8087	2.4692	2.4692	1.4222	1.4222		3.4723	3.4723	2.1884	2.1884	1.0952
H8	2.6260	2.1780	1.0942	3.4666	2.2067	3.9476	3.4723		4.3511	2.5394	5.0435	4.3800
H9	2.6260	2.1780	3.4666	1.0942	3.9476	2.2067	3.4723	4.3511		5.0435	2.5394	4.3800
H10	4.5653	3.4264	2.1789	3.9497	1.0959	3.4564	2.1884	2.5394	5.0435		4.3640	2.5207
H11	4.5653	3.4264	3.9497	2.1789	3.4564	1.0959	2.1884	5.0435	2.5394	4.3640		2.5207
H12	5.2722	3.9040	3.4597	3.4597	2.1866	2.1866	1.0952	4.3800	4.3800	2.5207	2.5207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.511	F1	C2	C4	118.511
C2	C3	C5	118.021	C2	C3	H8	119.911
C2	C4	C6	118.021	C2	C4	H9	119.911
C3	C2	C4	122.977	C3	C5	C7	120.525
C3	C5	H10	119.330	C4	C6	C7	120.525
C4	C6	H11	119.330	C5	C3	H8	122.068
C5	C7	C6	119.931	C5	C7	H12	120.035
C6	C4	H9	122.068	C6	C7	H12	120.035
C7	C5	H10	120.145	C7	C6	H11	120.145

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)