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	hartrees
Energy at 0K	-328.416777
Energy at 298.15K	-328.422363
HF Energy	-327.738772
Nuclear repulsion energy	266.347658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3071	0.01
2	A₁	3176	3053	15.21
3	A₁	3152	3029	0.02
4	A₁	1630	1567	46.02
5	A₁	1544	1484	40.96
6	A₁	1294	1244	39.36
7	A₁	1219	1172	2.54
8	A₁	1050	1009	0.67
9	A₁	1020	980	1.66
10	A₁	827	795	12.35
11	A₁	536	515	2.48
12	A₂	962	925	0.00
13	A₂	851	818	0.00
14	A₂	429	413	0.00
15	B₁	951	914	0.12
16	B₁	915	879	15.95
17	B₁	770	740	95.41
18	B₁	687	660	12.64
19	B₁	512	492	6.61
20	B₁	245	236	0.20
21	B₂	3192	3068	5.54
22	B₂	3162	3039	8.47
23	B₂	1607	1545	8.66
24	B₂	1499	1440	2.10
25	B₂	1368	1315	0.24
26	B₂	1260	1211	0.11
27	B₂	1178	1132	0.76
28	B₂	1095	1053	5.52
29	B₂	650	625	0.05
30	B₂	389	374	2.69

Atom	y (Å)	z (Å)
F1	0.000	2.324
C2	0.000	0.940
C3	1.219	0.256
C4	-1.219	0.256
C5	1.218	-1.150
C6	-1.218	-1.150
C7	0.000	-1.857
H8	2.148	0.821
H9	-2.148	0.821
H10	2.164	-1.690
H11	-2.164	-1.690
H12	0.000	-2.946

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3842	2.4007	2.4007	3.6813	3.6813	4.1809	2.6216	2.6216	4.5600	4.5600	5.2700
C2	1.3842		1.3979	1.3979	2.4187	2.4187	2.7967	2.1514	2.1514	3.4054	3.4054	3.8858
C3	2.4007	1.3979		2.4385	1.4061	2.8135	2.4395	1.0873	3.4145	2.1630	3.9027	3.4263
C4	2.4007	1.3979	2.4385		2.8135	1.4061	2.4395	3.4145	1.0873	3.9027	2.1630	3.4263
C5	3.6813	2.4187	1.4061	2.8135		2.4353	1.4079	2.1799	3.9006	1.0892	3.4241	2.1698
C6	3.6813	2.4187	2.8135	1.4061	2.4353		1.4079	3.9006	2.1799	3.4241	1.0892	2.1698
C7	4.1809	2.7967	2.4395	2.4395	1.4079	1.4079		3.4332	3.4332	2.1701	2.1701	1.0891
H8	2.6216	2.1514	1.0873	3.4145	2.1799	3.9006	3.4332		4.2963	2.5112	4.9898	4.3367
H9	2.6216	2.1514	3.4145	1.0873	3.9006	2.1799	3.4332	4.2963		4.9898	2.5112	4.3367
H10	4.5600	3.4054	2.1630	3.9027	1.0892	3.4241	2.1701	2.5112	4.9898		4.3274	2.5018
H11	4.5600	3.4054	3.9027	2.1630	3.4241	1.0892	2.1701	4.9898	2.5112	4.3274		2.5018
H12	5.2700	3.8858	3.4263	3.4263	2.1698	2.1698	1.0891	4.3367	4.3367	2.5018	2.5018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.285	F1	C2	C4	119.285
C2	C3	C5	119.218	C2	C3	H8	119.394
C2	C4	C6	119.218	C2	C4	H9	119.394
C3	C2	C4	121.430	C3	C5	C7	120.201
C3	C5	H10	119.643	C4	C6	C7	120.201
C4	C6	H11	119.643	C5	C3	H8	121.387
C5	C7	C6	119.730	C5	C7	H12	120.135
C6	C4	H9	121.387	C6	C7	H12	120.135
C7	C5	H10	120.156	C7	C6	H11	120.156

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)