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	hartrees
Energy at 0K	-330.502148
Energy at 298.15K	-330.507605
HF Energy	-329.552908
Nuclear repulsion energy	268.928943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3072	0.01
2	A₁	3232	3059	18.09
3	A₁	3210	3038	0.04
4	A₁	1709	1618	45.26
5	A₁	1577	1493	80.04
6	A₁	1306	1236	75.13
7	A₁	1210	1145	5.24
8	A₁	1066	1009	4.12
9	A₁	1038	983	0.25
10	A₁	840	795	20.96
11	A₁	529	501	3.66
12	A₂	921	872	0.00
13	A₂	831	787	0.00
14	A₂	415	393	0.00
15	B₁	914	865	1.13
16	B₁	870	824	3.86
17	B₁	754	714	94.40
18	B₁	570	539	0.20
19	B₁	495	469	5.07
20	B₁	242	229	0.12
21	B₂	3244	3071	6.10
22	B₂	3219	3047	10.40
23	B₂	1706	1615	6.65
24	B₂	1528	1446	2.11
25	B₂	1362	1289	0.71
26	B₂	1325	1254	0.15
27	B₂	1205	1140	0.35
28	B₂	1119	1059	6.64
29	B₂	634	600	0.07
30	B₂	409	387	2.71

Atom	y (Å)	z (Å)
F1	0.000	2.283
C2	0.000	0.928
C3	1.217	0.260
C4	-1.217	0.260
C5	1.208	-1.135
C6	-1.208	-1.135
C7	0.000	-1.834
H8	2.143	0.830
H9	-2.143	0.830
H10	2.153	-1.676
H11	-2.153	-1.676
H12	0.000	-2.922

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3554	2.3606	2.3606	3.6252	3.6252	4.1171	2.5888	2.5888	4.5063	4.5063	5.2050
C2	1.3554		1.3881	1.3881	2.3904	2.3904	2.7617	2.1450	2.1450	3.3782	3.3782	3.8496
C3	2.3606	1.3881		2.4345	1.3953	2.7983	2.4225	1.0869	3.4080	2.1504	3.8865	3.4072
C4	2.3606	1.3881	2.4345		2.7983	1.3953	2.4225	3.4080	1.0869	3.8865	2.1504	3.4072
C5	3.6252	2.3904	1.3953	2.7983		2.4167	1.3961	2.1760	3.8848	1.0882	3.4042	2.1573
C6	3.6252	2.3904	2.7983	1.3953	2.4167		1.3961	3.8848	2.1760	3.4042	1.0882	2.1573
C7	4.1171	2.7617	2.4225	2.4225	1.3961	1.3961		3.4191	3.4191	2.1584	2.1584	1.0879
H8	2.5888	2.1450	1.0869	3.4080	2.1760	3.8848	3.4191		4.2855	2.5062	4.9730	4.3210
H9	2.5888	2.1450	3.4080	1.0869	3.8848	2.1760	3.4191	4.2855		4.9730	2.5062	4.3210
H10	4.5063	3.3782	2.1504	3.8865	1.0882	3.4042	2.1584	2.5062	4.9730		4.3052	2.4873
H11	4.5063	3.3782	3.8865	2.1504	3.4042	1.0882	2.1584	4.9730	2.5062	4.3052		2.4873
H12	5.2050	3.8496	3.4072	3.4072	2.1573	2.1573	1.0879	4.3210	4.3210	2.4873	2.4873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.730	F1	C2	C4	118.730
C2	C3	C5	118.365	C2	C3	H8	119.648
C2	C4	C6	118.365	C2	C4	H9	119.648
C3	C2	C4	122.541	C3	C5	C7	120.420
C3	C5	H10	119.447	C4	C6	C7	120.420
C4	C6	H11	119.447	C5	C3	H8	121.987
C5	C7	C6	119.887	C5	C7	H12	120.056
C6	C4	H9	121.987	C6	C7	H12	120.056
C7	C5	H10	120.132	C7	C6	H11	120.132

All results from a given calculation for C₆H₅F (Fluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)