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	hartrees
Energy at 0K	-329.623364
Energy at 298.15K	-329.629341
Nuclear repulsion energy	271.622439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3381	3058	0.96
2	A₁	3368	3046	33.47
3	A₁	3344	3024	0.07
4	A₁	1795	1624	66.75
5	A₁	1662	1503	96.00
6	A₁	1366	1235	112.57
7	A₁	1267	1146	8.75
8	A₁	1113	1006	3.90
9	A₁	1087	983	0.35
10	A₁	882	797	28.57
11	A₁	562	509	5.43
12	A₂	1084	980	0.00
13	A₂	925	837	0.00
14	A₂	463	419	0.00
15	B₁	1099	994	0.19
16	B₁	1010	913	14.28
17	B₁	847	766	93.95
18	B₁	759	686	21.37
19	B₁	562	508	10.03
20	B₁	266	241	0.15
21	B₂	3378	3055	19.56
22	B₂	3355	3034	14.12
23	B₂	1790	1619	14.76
24	B₂	1612	1458	2.33
25	B₂	1449	1311	1.09
26	B₂	1328	1201	0.01
27	B₂	1199	1084	0.02
28	B₂	1157	1046	8.16
29	B₂	673	609	0.15
30	B₂	439	397	3.10

Atom	y (Å)	z (Å)
F1	0.000	2.254
C2	0.000	0.926
C3	1.206	0.261
C4	-1.206	0.261
C5	1.198	-1.124
C6	-1.198	-1.124
C7	0.000	-1.820
H8	2.122	0.822
H9	-2.122	0.822
H10	2.131	-1.657
H11	-2.131	-1.657
H12	0.000	-2.894

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3278	2.3292	2.3292	3.5840	3.5840	4.0740	2.5599	2.5599	4.4540	4.4540	5.1482
C2	1.3278		1.3772	1.3772	2.3744	2.3744	2.7462	2.1244	2.1244	3.3489	3.3489	3.8203
C3	2.3292	1.3772		2.4124	1.3853	2.7748	2.4057	1.0736	3.3749	2.1299	3.8494	3.3783
C4	2.3292	1.3772	2.4124		2.7748	1.3853	2.4057	3.3749	1.0736	3.8494	2.1299	3.3783
C5	3.5840	2.3744	1.3853	2.7748		2.3961	1.3856	2.1539	3.8481	1.0747	3.3715	2.1376
C6	3.5840	2.3744	2.7748	1.3853	2.3961		1.3856	3.8481	2.1539	3.3715	1.0747	2.1376
C7	4.0740	2.7462	2.4057	2.4057	1.3856	1.3856		3.3885	3.3885	2.1372	2.1372	1.0742
H8	2.5599	2.1244	1.0736	3.3749	2.1539	3.8481	3.3885		4.2437	2.4792	4.9227	4.2792
H9	2.5599	2.1244	3.3749	1.0736	3.8481	2.1539	3.3885	4.2437		4.9227	2.4792	4.2792
H10	4.4540	3.3489	2.1299	3.8494	1.0747	3.3715	2.1372	2.4792	4.9227		4.2620	2.4640
H11	4.4540	3.3489	3.8494	2.1299	3.3715	1.0747	2.1372	4.9227	2.4792	4.2620		2.4640
H12	5.1482	3.8203	3.3783	3.3783	2.1376	2.1376	1.0742	4.2792	4.2792	2.4640	2.4640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.858	F1	C2	C4	118.858
C2	C3	C5	118.520	C2	C3	H8	119.668
C2	C4	C6	118.520	C2	C4	H9	119.668
C3	C2	C4	122.283	C3	C5	C7	120.499
C3	C5	H10	119.420	C4	C6	C7	120.499
C4	C6	H11	119.420	C5	C3	H8	121.812
C5	C7	C6	119.678	C5	C7	H12	120.161
C6	C4	H9	121.812	C6	C7	H12	120.161
C7	C5	H10	120.081	C7	C6	H11	120.081

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/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	-0.318
2	C	0.408
3	C	-0.305
4	C	-0.305
5	C	-0.203
6	C	-0.203
7	C	-0.230
8	H	0.240
9	H	0.240
10	H	0.227
11	H	0.227
12	H	0.223

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)