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	hartrees
Energy at 0K	-330.323029
Energy at 298.15K	-330.328776
HF Energy	-329.554482
Nuclear repulsion energy	270.810595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3352	3096	0.08
2	A₁	3338	3084	18.07
3	A₁	3315	3062	0.05
4	A₁	1772	1637	54.49
5	A₁	1632	1508	92.00
6	A₁	1351	1248	85.63
7	A₁	1248	1153	6.38
8	A₁	1102	1018	4.13
9	A₁	1070	988	0.30
10	A₁	869	802	22.94
11	A₁	548	506	4.03
12	A₂	1008	931	0.00
13	A₂	886	819	0.00
14	A₂	441	407	0.00
15	B₁	1003	927	0.39
16	B₁	941	869	7.44
17	B₁	804	742	99.40
18	B₁	669	618	1.01
19	B₁	532	491	5.59
20	B₁	254	235	0.17
21	B₂	3350	3094	6.01
22	B₂	3325	3071	10.46
23	B₂	1769	1634	10.40
24	B₂	1582	1461	2.55
25	B₂	1410	1302	0.80
26	B₂	1349	1246	0.19
27	B₂	1233	1139	0.57
28	B₂	1154	1066	6.75
29	B₂	655	605	0.09
30	B₂	425	392	2.73

Atom	y (Å)	z (Å)
F1	0.000	2.266
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	-1.823
H8	2.128	0.824
H9	-2.128	0.824
H10	2.137	-1.664
H11	-2.137	-1.664
H12	0.000	-2.902

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3424	2.3428	2.3428	3.5990	3.5990	4.0889	2.5703	2.5703	4.4729	4.4729	5.1679
C2	1.3424		1.3796	1.3796	2.3760	2.3760	2.7465	2.1300	2.1300	3.3555	3.3555	3.8255
C3	2.3428	1.3796		2.4182	1.3864	2.7795	2.4078	1.0782	3.3842	2.1350	3.8590	3.3846
C4	2.3428	1.3796	2.4182		2.7795	1.3864	2.4078	3.3842	1.0782	3.8590	2.1350	3.3846
C5	3.5990	2.3760	1.3864	2.7795		2.4000	1.3871	2.1602	3.8574	1.0795	3.3795	2.1425
C6	3.5990	2.3760	2.7795	1.3864	2.4000		1.3871	3.8574	2.1602	3.3795	1.0795	2.1425
C7	4.0889	2.7465	2.4078	2.4078	1.3871	1.3871		3.3959	3.3959	2.1426	2.1426	1.0791
H8	2.5703	2.1300	1.0782	3.3842	2.1602	3.8574	3.3959		4.2553	2.4875	4.9368	4.2905
H9	2.5703	2.1300	3.3842	1.0782	3.8574	2.1602	3.3959	4.2553		4.9368	2.4875	4.2905
H10	4.4729	3.3555	2.1350	3.8590	1.0795	3.3795	2.1426	2.4875	4.9368		4.2734	2.4696
H11	4.4729	3.3555	3.8590	2.1350	3.3795	1.0795	2.1426	4.9368	2.4875	4.2734		2.4696
H12	5.1679	3.8255	3.3846	3.3846	2.1425	2.1425	1.0791	4.2905	4.2905	2.4696	2.4696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.785	F1	C2	C4	118.785
C2	C3	C5	118.409	C2	C3	H8	119.642
C2	C4	C6	118.409	C2	C4	H9	119.642
C3	C2	C4	122.431	C3	C5	C7	120.484
C3	C5	H10	119.429	C4	C6	C7	120.484
C4	C6	H11	119.429	C5	C3	H8	121.949
C5	C7	C6	119.784	C5	C7	H12	120.108
C6	C4	H9	121.949	C6	C7	H12	120.108
C7	C5	H10	120.087	C7	C6	H11	120.087

All results from a given calculation for C₆H₅F (Fluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)