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	hartrees
Energy at 0K	-330.553155
Energy at 298.15K	-330.558622
HF Energy	-329.562032
Nuclear repulsion energy	268.791829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3092	0.02
2	A₁	3271	3079	20.93
3	A₁	3248	3058	0.05
4	A₁	1701	1601	44.82
5	A₁	1574	1482	71.37
6	A₁	1296	1220	79.82
7	A₁	1204	1134	6.28
8	A₁	1060	998	3.03
9	A₁	1029	969	0.26
10	A₁	833	784	19.98
11	A₁	526	495	3.48
12	A₂	941	886	0.00
13	A₂	837	788	0.00
14	A₂	412	388	0.00
15	B₁	936	881	0.52
16	B₁	879	828	3.27
17	B₁	756	712	84.40
18	B₁	563	530	0.01
19	B₁	493	464	4.44
20	B₁	240	226	0.13
21	B₂	3283	3091	8.34
22	B₂	3257	3067	11.65
23	B₂	1699	1599	7.54
24	B₂	1526	1437	1.37
25	B₂	1361	1281	0.58
26	B₂	1317	1240	0.19
27	B₂	1197	1127	0.48
28	B₂	1113	1048	5.36
29	B₂	630	593	0.06
30	B₂	405	381	2.57

Atom	y (Å)	z (Å)
F1	0.000	2.286
C2	0.000	0.929
C3	1.219	0.260
C4	-1.219	0.260
C5	1.209	-1.136
C6	-1.209	-1.136
C7	0.000	-1.836
H8	2.139	0.828
H9	-2.139	0.828
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		1.3573	2.3638	2.3638	3.6295	3.6295	4.1222	2.5890	2.5890	4.5058	4.5058	5.2043
C2	1.3573		1.3899	1.3899	2.3929	2.3929	2.7650	2.1416	2.1416	3.3753	3.3753	3.8470
C3	2.3638	1.3899		2.4377	1.3968	2.8012	2.4254	1.0810	3.4056	2.1470	3.8837	3.4046
C4	2.3638	1.3899	2.4377		2.8012	1.3968	2.4254	3.4056	1.0810	3.8837	2.1470	3.4046
C5	3.6295	2.3929	1.3968	2.8012		2.4186	1.3973	2.1729	3.8819	1.0824	3.4005	2.1537
C6	3.6295	2.3929	2.8012	1.3968	2.4186		1.3973	3.8819	2.1729	3.4005	1.0824	2.1537
C7	4.1222	2.7650	2.4254	2.4254	1.3973	1.3973		3.4166	3.4166	2.1543	2.1543	1.0820
H8	2.5890	2.1416	1.0810	3.4056	2.1729	3.8819	3.4166		4.2784	2.5024	4.9643	4.3138
H9	2.5890	2.1416	3.4056	1.0810	3.8819	2.1729	3.4166	4.2784		4.9643	2.5024	4.3138
H10	4.5058	3.3753	2.1470	3.8837	1.0824	3.4005	2.1543	2.5024	4.9643		4.2965	2.4822
H11	4.5058	3.3753	3.8837	2.1470	3.4005	1.0824	2.1543	4.9643	2.5024	4.2965		2.4822
H12	5.2043	3.8470	3.4046	3.4046	2.1537	2.1537	1.0820	4.3138	4.3138	2.4822	2.4822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.727	F1	C2	C4	118.727
C2	C3	C5	118.335	C2	C3	H8	119.635
C2	C4	C6	118.335	C2	C4	H9	119.635
C3	C2	C4	122.546	C3	C5	C7	120.460
C3	C5	H10	119.446	C4	C6	C7	120.460
C4	C6	H11	119.446	C5	C3	H8	122.030
C5	C7	C6	119.863	C5	C7	H12	120.068
C6	C4	H9	122.030	C6	C7	H12	120.068
C7	C5	H10	120.094	C7	C6	H11	120.094

All results from a given calculation for C₆H₅F (Fluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)