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	hartrees
Energy at 0K	-329.778601
Energy at 298.15K	-329.784039
Nuclear repulsion energy	270.589354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	3081	0.54
2	A₁	3123	3072	11.30
3	A₁	3103	3053	0.28
4	A₁	1640	1614	52.22
5	A₁	1503	1478	103.35
6	A₁	1260	1240	75.78
7	A₁	1138	1119	7.40
8	A₁	1027	1010	3.49
9	A₁	1001	984	0.99
10	A₁	822	809	22.57
11	A₁	516	507	3.66
12	A₂	915	900	0.00
13	A₂	790	778	0.00
14	A₂	412	405	0.00
15	B₁	937	922	0.06
16	B₁	866	852	11.25
17	B₁	741	728	72.05
18	B₁	680	669	30.99
19	B₁	497	489	15.34
20	B₁	233	229	0.00
21	B₂	3130	3079	2.26
22	B₂	3111	3060	6.84
23	B₂	1641	1614	10.60
24	B₂	1458	1435	1.73
25	B₂	1408	1385	0.15
26	B₂	1278	1257	0.82
27	B₂	1143	1124	0.03
28	B₂	1065	1048	11.42
29	B₂	610	600	0.17
30	B₂	397	391	1.95

Atom	y (Å)	z (Å)
F1	0.000	2.264
C2	0.000	0.928
C3	1.207	0.259
C4	-1.207	0.259
C5	1.200	-1.127
C6	-1.200	-1.127
C7	0.000	-1.823
H8	2.138	0.833
H9	-2.138	0.833
H10	2.150	-1.670
H11	-2.150	-1.670
H12	0.000	-2.916

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3360	2.3409	2.3409	3.5970	3.5970	4.0867	2.5732	2.5732	4.4833	4.4833	5.1806
C2	1.3360		1.3806	1.3806	2.3796	2.3796	2.7507	2.1405	2.1405	3.3723	3.3723	3.8446
C3	2.3409	1.3806		2.4149	1.3857	2.7773	2.4061	1.0938	3.3947	2.1467	3.8718	3.3969
C4	2.3409	1.3806	2.4149		2.7773	1.3857	2.4061	3.3947	1.0938	3.8718	2.1467	3.3969
C5	3.5970	2.3796	1.3857	2.7773		2.3991	1.3866	2.1731	3.8708	1.0945	3.3930	2.1543
C6	3.5970	2.3796	2.7773	1.3857	2.3991		1.3866	3.8708	2.1731	3.3930	1.0945	2.1543
C7	4.0867	2.7507	2.4061	2.4061	1.3866	1.3866		3.4094	3.4094	2.1551	2.1551	1.0939
H8	2.5732	2.1405	1.0938	3.3947	2.1731	3.8708	3.4094		4.2768	2.5030	4.9652	4.3162
H9	2.5732	2.1405	3.3947	1.0938	3.8708	2.1731	3.4094	4.2768		4.9652	2.5030	4.3162
H10	4.4833	3.3723	2.1467	3.8718	1.0945	3.3930	2.1551	2.5030	4.9652		4.2994	2.4848
H11	4.4833	3.3723	3.8718	2.1467	3.3930	1.0945	2.1551	4.9652	2.5030	4.2994		2.4848
H12	5.1806	3.8446	3.3969	3.3969	2.1543	2.1543	1.0939	4.3162	4.3162	2.4848	2.4848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.008	F1	C2	C4	119.008
C2	C3	C5	118.683	C2	C3	H8	119.326
C2	C4	C6	118.683	C2	C4	H9	119.326
C3	C2	C4	121.983	C3	C5	C7	120.432
C3	C5	H10	119.429	C4	C6	C7	120.432
C4	C6	H11	119.429	C5	C3	H8	121.991
C5	C7	C6	119.787	C5	C7	H12	120.106
C6	C4	H9	121.991	C6	C7	H12	120.106
C7	C5	H10	120.138	C7	C6	H11	120.138

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: LSDA/6-311G*

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	-0.187
2	C	0.269
3	C	-0.285
4	C	-0.285
5	C	-0.215
6	C	-0.215
7	C	-0.216
8	H	0.233
9	H	0.233
10	H	0.224
11	H	0.224
12	H	0.220

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: LSDA/6-311G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)