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	hartrees
Energy at 0K	-329.674162
Energy at 298.15K	-329.680161
Nuclear repulsion energy	272.182202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3362	3061	0.36
2	A₁	3350	3050	19.66
3	A₁	3324	3027	0.18
4	A₁	1780	1621	73.29
5	A₁	1654	1505	91.85
6	A₁	1365	1242	118.71
7	A₁	1262	1149	9.07
8	A₁	1110	1010	3.18
9	A₁	1086	989	0.82
10	A₁	883	804	25.09
11	A₁	562	512	5.83
12	A₂	1093	995	0.00
13	A₂	928	845	0.00
14	A₂	461	420	0.00
15	B₁	1109	1010	0.33
16	B₁	1016	925	11.01
17	B₁	850	774	83.61
18	B₁	748	681	22.90
19	B₁	558	508	11.33
20	B₁	263	239	0.07
21	B₂	3359	3058	8.55
22	B₂	3335	3036	9.72
23	B₂	1778	1619	12.89
24	B₂	1605	1461	1.88
25	B₂	1446	1316	1.09
26	B₂	1319	1201	0.09
27	B₂	1193	1086	0.03
28	B₂	1152	1048	6.17
29	B₂	671	611	0.14
30	B₂	443	403	2.44

Atom	y (Å)	z (Å)
F1	0.000	2.248
C2	0.000	0.924
C3	1.205	0.261
C4	-1.205	0.261
C5	1.195	-1.121
C6	-1.195	-1.121
C7	0.000	-1.816
H8	2.119	0.820
H9	-2.119	0.820
H10	2.126	-1.654
H11	-2.126	-1.654
H12	0.000	-2.888

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3238	2.3238	2.3238	3.5754	3.5754	4.0644	2.5555	2.5555	4.4442	4.4442	5.1364
C2	1.3238		1.3752	1.3752	2.3694	2.3694	2.7405	2.1216	2.1216	3.3423	3.3423	3.8125
C3	2.3238	1.3752		2.4095	1.3825	2.7698	2.4013	1.0715	3.3704	2.1256	3.8424	3.3718
C4	2.3238	1.3752	2.4095		2.7698	1.3825	2.4013	3.3704	1.0715	3.8424	2.1256	3.3718
C5	3.5754	2.3694	1.3825	2.7698		2.3907	1.3826	2.1497	3.8410	1.0727	3.3641	2.1332
C6	3.5754	2.3694	2.7698	1.3825	2.3907		1.3826	3.8410	2.1497	3.3641	1.0727	2.1332
C7	4.0644	2.7405	2.4013	2.4013	1.3826	1.3826		3.3820	3.3820	2.1324	2.1324	1.0720
H8	2.5555	2.1216	1.0715	3.3704	2.1497	3.8410	3.3820		4.2380	2.4741	4.9136	4.2707
H9	2.5555	2.1216	3.3704	1.0715	3.8410	2.1497	3.3820	4.2380		4.9136	2.4741	4.2707
H10	4.4442	3.3423	2.1256	3.8424	1.0727	3.3641	2.1324	2.4741	4.9136		4.2525	2.4583
H11	4.4442	3.3423	3.8424	2.1256	3.3641	1.0727	2.1324	4.9136	2.4741	4.2525		2.4583
H12	5.1364	3.8125	3.3718	3.3718	2.1332	2.1332	1.0720	4.2707	4.2707	2.4583	2.4583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.836	F1	C2	C4	118.836
C2	C3	C5	118.448	C2	C3	H8	119.739
C2	C4	C6	118.448	C2	C4	H9	119.739
C3	C2	C4	122.328	C3	C5	C7	120.555
C3	C5	H10	119.406	C4	C6	C7	120.555
C4	C6	H11	119.406	C5	C3	H8	121.813
C5	C7	C6	119.667	C5	C7	H12	120.167
C6	C4	H9	121.813	C6	C7	H12	120.167
C7	C5	H10	120.039	C7	C6	H11	120.039

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/aug-cc-pVTZ

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	-0.509
2	C	0.675
3	C	-0.744
4	C	-0.744
5	C	-0.351
6	C	-0.351
7	C	-0.445
8	H	0.534
9	H	0.534
10	H	0.432
11	H	0.432
12	H	0.537

<r²>	178.886
(<r²>)^1/2	13.375

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)