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	hartrees
Energy at 0K	-329.664481
Energy at 298.15K	-329.670484
Nuclear repulsion energy	272.300912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3050	0.28
2	A₁	3345	3039	19.03
3	A₁	3320	3016	0.23
4	A₁	1780	1617	72.94
5	A₁	1653	1502	92.36
6	A₁	1365	1240	118.52
7	A₁	1264	1149	9.01
8	A₁	1109	1008	3.29
9	A₁	1087	987	0.83
10	A₁	882	801	25.25
11	A₁	562	511	5.76
12	A₂	1103	1002	0.00
13	A₂	933	847	0.00
14	A₂	463	420	0.00
15	B₁	1120	1018	0.27
16	B₁	1021	927	11.02
17	B₁	850	772	86.11
18	B₁	749	681	19.76
19	B₁	563	511	11.66
20	B₁	264	240	0.08
21	B₂	3354	3048	7.85
22	B₂	3330	3025	10.11
23	B₂	1779	1616	13.38
24	B₂	1605	1458	1.93
25	B₂	1447	1314	1.21
26	B₂	1320	1199	0.08
27	B₂	1194	1085	0.01
28	B₂	1153	1047	6.16
29	B₂	671	610	0.15
30	B₂	445	405	2.54

Atom	y (Å)	z (Å)
F1	0.000	2.246
C2	0.000	0.924
C3	1.205	0.262
C4	-1.205	0.262
C5	1.194	-1.120
C6	-1.194	-1.120
C7	0.000	-1.816
H8	2.120	0.821
H9	-2.120	0.821
H10	2.126	-1.654
H11	-2.126	-1.654
H12	0.000	-2.889

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3219	2.3208	2.3208	3.5715	3.5715	4.0618	2.5543	2.5543	4.4411	4.4411	5.1343
C2	1.3219		1.3746	1.3746	2.3674	2.3674	2.7399	2.1224	2.1224	3.3409	3.3409	3.8124
C3	2.3208	1.3746		2.4097	1.3824	2.7690	2.4022	1.0721	3.3713	2.1256	3.8423	3.3732
C4	2.3208	1.3746	2.4097		2.7690	1.3824	2.4022	3.3713	1.0721	3.8423	2.1256	3.3732
C5	3.5715	2.3674	1.3824	2.7690		2.3888	1.3823	2.1502	3.8408	1.0733	3.3627	2.1340
C6	3.5715	2.3674	2.7690	1.3824	2.3888		1.3823	3.8408	2.1502	3.3627	1.0733	2.1340
C7	4.0618	2.7399	2.4022	2.4022	1.3823	1.3823		3.3833	3.3833	2.1320	2.1320	1.0725
H8	2.5543	2.1224	1.0721	3.3713	2.1502	3.8408	3.3833		4.2398	2.4743	4.9140	4.2723
H9	2.5543	2.1224	3.3713	1.0721	3.8408	2.1502	3.3833	4.2398		4.9140	2.4743	4.2723
H10	4.4411	3.3409	2.1256	3.8423	1.0733	3.3627	2.1320	2.4743	4.9140		4.2515	2.4585
H11	4.4411	3.3409	3.8423	2.1256	3.3627	1.0733	2.1320	4.9140	2.4743	4.2515		2.4585
H12	5.1343	3.8124	3.3732	3.3732	2.1340	2.1340	1.0725	4.2723	4.2723	2.4585	2.4585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.774	F1	C2	C4	118.774
C2	C3	C5	118.342	C2	C3	H8	119.824
C2	C4	C6	118.342	C2	C4	H9	119.824
C3	C2	C4	122.451	C3	C5	C7	120.658
C3	C5	H10	119.368	C4	C6	C7	120.658
C4	C6	H11	119.368	C5	C3	H8	121.834
C5	C7	C6	119.549	C5	C7	H12	120.226
C6	C4	H9	121.834	C6	C7	H12	120.226
C7	C5	H10	119.973	C7	C6	H11	119.973

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	F	-0.689
2	C	0.599
3	C	-0.385
4	C	-0.385
5	C	0.395
6	C	0.395
7	C	-0.569
8	H	0.141
9	H	0.141
10	H	0.116
11	H	0.116
12	H	0.124

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)