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	hartrees
Energy at 0K	-330.573821
Energy at 298.15K	-330.579068
HF Energy	-329.574052
Nuclear repulsion energy	268.644951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3291	3091	0.34
2	A₁	3280	3081	12.99
3	A₁	3259	3061	0.07
4	A₁	1667	1566	47.04
5	A₁	1548	1454	75.40
6	A₁	1256	1180	95.06
7	A₁	1197	1124	16.00
8	A₁	1053	989	6.77
9	A₁	1024	962	0.31
10	A₁	823	773	27.55
11	A₁	521	489	5.01
12	A₂	910	855	0.00
13	A₂	816	766	0.00
14	A₂	398	373	0.00
15	B₁	897	843	0.72
16	B₁	859	807	3.06
17	B₁	743	698	115.64
18	B₁	495	465	9.03
19	B₁	383	359	0.89
20	B₁	225	211	0.03
21	B₂	3289	3089	3.05
22	B₂	3268	3069	8.25
23	B₂	1676	1574	6.02
24	B₂	1507	1415	1.00
25	B₂	1471	1382	0.18
26	B₂	1348	1266	0.59
27	B₂	1202	1129	0.11
28	B₂	1107	1040	7.63
29	B₂	624	586	0.15
30	B₂	402	377	2.52

Atom	y (Å)	z (Å)
F1	0.000	2.290
C2	0.000	0.923
C3	1.220	0.260
C4	-1.220	0.260
C5	1.209	-1.137
C6	-1.209	-1.137
C7	0.000	-1.836
H8	2.140	0.827
H9	-2.140	0.827
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		1.3666	2.3679	2.3679	3.6338	3.6338	4.1262	2.5920	2.5920	4.5089	4.5089	5.2076
C2	1.3666		1.3883	1.3883	2.3888	2.3888	2.7597	2.1420	2.1420	3.3709	3.3709	3.8411
C3	2.3679	1.3883		2.4395	1.3970	2.8022	2.4256	1.0807	3.4071	2.1460	3.8840	3.4041
C4	2.3679	1.3883	2.4395		2.8022	1.3970	2.4256	3.4071	1.0807	3.8840	2.1460	3.4041
C5	3.6338	2.3888	1.3970	2.8022		2.4189	1.3972	2.1731	3.8826	1.0818	3.4003	2.1529
C6	3.6338	2.3888	2.8022	1.3970	2.4189		1.3972	3.8826	2.1731	3.4003	1.0818	2.1529
C7	4.1262	2.7597	2.4256	2.4256	1.3972	1.3972		3.4166	3.4166	2.1542	2.1542	1.0814
H8	2.5920	2.1420	1.0807	3.4071	2.1731	3.8826	3.4166		4.2797	2.5016	4.9643	4.3131
H9	2.5920	2.1420	3.4071	1.0807	3.8826	2.1731	3.4166	4.2797		4.9643	2.5016	4.3131
H10	4.5089	3.3709	2.1460	3.8840	1.0818	3.4003	2.1542	2.5016	4.9643		4.2961	2.4819
H11	4.5089	3.3709	3.8840	2.1460	3.4003	1.0818	2.1542	4.9643	2.5016	4.2961		2.4819
H12	5.2076	3.8411	3.4041	3.4041	2.1529	2.1529	1.0814	4.3131	4.3131	2.4819	2.4819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.528	F1	C2	C4	118.528
C2	C3	C5	118.107	C2	C3	H8	119.837
C2	C4	C6	118.107	C2	C4	H9	119.837
C3	C2	C4	122.943	C3	C5	C7	120.469
C3	C5	H10	119.389	C4	C6	C7	120.469
C4	C6	H11	119.389	C5	C3	H8	122.056
C5	C7	C6	119.904	C5	C7	H12	120.048
C6	C4	H9	122.056	C6	C7	H12	120.048
C7	C5	H10	120.142	C7	C6	H11	120.142

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)