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	hartrees
Energy at 0K	-331.482299
Energy at 298.15K	-331.487855
Nuclear repulsion energy	268.890784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3097	0.01
2	A₁	3212	3084	24.28
3	A₁	3190	3063	0.11
4	A₁	1661	1595	47.21
5	A₁	1547	1486	72.99
6	A₁	1279	1228	88.98
7	A₁	1188	1140	7.61
8	A₁	1047	1006	2.86
9	A₁	1021	981	0.00
10	A₁	829	796	20.77
11	A₁	525	504	3.91
12	A₂	961	922	0.00
13	A₂	834	801	0.00
14	A₂	426	409	0.00
15	B₁	985	946	0.12
16	B₁	901	866	6.58
17	B₁	765	735	65.32
18	B₁	694	667	6.42
19	B₁	512	491	4.93
20	B₁	242	233	0.11
21	B₂	3224	3096	9.45
22	B₂	3199	3072	13.19
23	B₂	1660	1594	9.06
24	B₂	1503	1444	0.97
25	B₂	1363	1309	0.34
26	B₂	1335	1282	0.13
27	B₂	1190	1142	0.35
28	B₂	1099	1056	6.22
29	B₂	628	603	0.11
30	B₂	405	389	2.00

Atom	y (Å)	z (Å)
F1	0.000	2.283
C2	0.000	0.932
C3	1.218	0.260
C4	-1.218	0.260
C5	1.209	-1.136
C6	-1.209	-1.136
C7	0.000	-1.836
H8	2.142	0.829
H9	-2.142	0.829
H10	2.152	-1.675
H11	-2.152	-1.675
H12	0.000	-2.922

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3509	2.3604	2.3604	3.6255	3.6255	4.1184	2.5889	2.5889	4.5049	4.5049	5.2045
C2	1.3509		1.3903	1.3903	2.3947	2.3947	2.7676	2.1445	2.1445	3.3803	3.3803	3.8536
C3	2.3604	1.3903		2.4351	1.3961	2.7992	2.4243	1.0851	3.4073	2.1494	3.8857	3.4074
C4	2.3604	1.3903	2.4351		2.7992	1.3961	2.4243	3.4073	1.0851	3.8857	2.1494	3.4074
C5	3.6255	2.3947	1.3961	2.7992		2.4174	1.3969	2.1747	3.8840	1.0865	3.4034	2.1569
C6	3.6255	2.3947	2.7992	1.3961	2.4174		1.3969	3.8840	2.1747	3.4034	1.0865	2.1569
C7	4.1184	2.7676	2.4243	2.4243	1.3969	1.3969		3.4188	3.4188	2.1577	2.1577	1.0861
H8	2.5889	2.1445	1.0851	3.4073	2.1747	3.8840	3.4188		4.2841	2.5039	4.9705	4.3192
H9	2.5889	2.1445	3.4073	1.0851	3.8840	2.1747	3.4188	4.2841		4.9705	2.5039	4.3192
H10	4.5049	3.3803	2.1494	3.8857	1.0865	3.4034	2.1577	2.5039	4.9705		4.3034	2.4868
H11	4.5049	3.3803	3.8857	2.1494	3.4034	1.0865	2.1577	4.9705	2.5039	4.3034		2.4868
H12	5.2045	3.8536	3.4074	3.4074	2.1569	2.1569	1.0861	4.3192	4.3192	2.4868	2.4868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.868	F1	C2	C4	118.868
C2	C3	C5	118.503	C2	C3	H8	119.558
C2	C4	C6	118.503	C2	C4	H9	119.558
C3	C2	C4	122.265	C3	C5	C7	120.452
C3	C5	H10	119.419	C4	C6	C7	120.452
C4	C6	H11	119.419	C5	C3	H8	121.938
C5	C7	C6	119.824	C5	C7	H12	120.088
C6	C4	H9	121.938	C6	C7	H12	120.088
C7	C5	H10	120.129	C7	C6	H11	120.129

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: B3LYP/6-31G*

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	-0.299
2	C	0.379
3	C	-0.195
4	C	-0.195
5	C	-0.130
6	C	-0.130
7	C	-0.130
8	H	0.146
9	H	0.146
10	H	0.138
11	H	0.138
12	H	0.133

<r²>	181.883
(<r²>)^1/2	13.486

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)