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	hartrees
Energy at 0K	-330.326641
Energy at 298.15K	-330.332387
HF Energy	-329.554463
Nuclear repulsion energy	270.736648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3349	3101	0.08
2	A₁	3336	3088	18.60
3	A₁	3313	3067	0.05
4	A₁	1770	1638	54.49
5	A₁	1631	1510	91.55
6	A₁	1349	1249	86.12
7	A₁	1247	1155	6.56
8	A₁	1100	1019	4.06
9	A₁	1068	989	0.27
10	A₁	867	803	22.93
11	A₁	547	507	4.03
12	A₂	1009	934	0.00
13	A₂	887	821	0.00
14	A₂	441	408	0.00
15	B₁	1005	931	0.35
16	B₁	941	872	7.47
17	B₁	804	744	99.19
18	B₁	671	621	1.01
19	B₁	532	492	5.59
20	B₁	254	235	0.17
21	B₂	3347	3099	6.35
22	B₂	3323	3076	10.69
23	B₂	1767	1636	10.51
24	B₂	1580	1463	2.52
25	B₂	1409	1304	0.79
26	B₂	1347	1247	0.20
27	B₂	1232	1141	0.60
28	B₂	1153	1068	6.68
29	B₂	655	606	0.09
30	B₂	424	393	2.71

Atom	y (Å)	z (Å)
F1	0.000	2.267
C2	0.000	0.924
C3	1.209	0.259
C4	-1.209	0.259
C5	1.200	-1.127
C6	-1.200	-1.127
C7	0.000	-1.824
H8	2.128	0.824
H9	-2.128	0.824
H10	2.137	-1.664
H11	-2.137	-1.664
H12	0.000	-2.903

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3428	2.3434	2.3434	3.6000	3.6000	4.0900	2.5710	2.5710	4.4740	4.4740	5.1692
C2	1.3428		1.3800	1.3800	2.3766	2.3766	2.7473	2.1305	2.1305	3.3562	3.3562	3.8265
C3	2.3434	1.3800		2.4190	1.3868	2.7803	2.4086	1.0783	3.3850	2.1354	3.8599	3.3855
C4	2.3434	1.3800	2.4190		2.7803	1.3868	2.4086	3.3850	1.0783	3.8599	2.1354	3.3855
C5	3.6000	2.3766	1.3868	2.7803		2.4006	1.3876	2.1607	3.8583	1.0796	3.3803	2.1430
C6	3.6000	2.3766	2.7803	1.3868	2.4006		1.3876	3.8583	2.1607	3.3803	1.0796	2.1430
C7	4.0900	2.7473	2.4086	2.4086	1.3876	1.3876		3.3967	3.3967	2.1431	2.1431	1.0792
H8	2.5710	2.1305	1.0783	3.3850	2.1607	3.8583	3.3967		4.2563	2.4879	4.9379	4.2914
H9	2.5710	2.1305	3.3850	1.0783	3.8583	2.1607	3.3967	4.2563		4.9379	2.4879	4.2914
H10	4.4740	3.3562	2.1354	3.8599	1.0796	3.3803	2.1431	2.4879	4.9379		4.2743	2.4701
H11	4.4740	3.3562	3.8599	2.1354	3.3803	1.0796	2.1431	4.9379	2.4879	4.2743		2.4701
H12	5.1692	3.8265	3.3855	3.3855	2.1430	2.1430	1.0792	4.2914	4.2914	2.4701	2.4701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.782	F1	C2	C4	118.782
C2	C3	C5	118.403	C2	C3	H8	119.646
C2	C4	C6	118.403	C2	C4	H9	119.646
C3	C2	C4	122.436	C3	C5	C7	120.489
C3	C5	H10	119.425	C4	C6	C7	120.489
C4	C6	H11	119.425	C5	C3	H8	121.950
C5	C7	C6	119.779	C5	C7	H12	120.110
C6	C4	H9	121.950	C6	C7	H12	120.110
C7	C5	H10	120.086	C7	C6	H11	120.086

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)