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	hartrees
Energy at 0K	-329.556748
Energy at 298.15K	-329.562289
Nuclear repulsion energy	266.162540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3134	0.03
2	A₁	3138	3118	19.70
3	A₁	3115	3095	0.03
4	A₁	1580	1569	45.89
5	A₁	1505	1496	45.53
6	A₁	1258	1250	46.44
7	A₁	1187	1179	5.93
8	A₁	1024	1017	0.49
9	A₁	1005	998	2.12
10	A₁	812	806	12.54
11	A₁	525	522	2.77
12	A₂	969	963	0.00
13	A₂	829	824	0.00
14	A₂	428	425	0.00
15	B₁	991	984	1.73
16	B₁	914	908	13.58
17	B₁	767	762	50.82
18	B₁	710	705	38.32
19	B₁	512	508	9.10
20	B₁	240	239	0.03
21	B₂	3151	3131	8.02
22	B₂	3124	3104	10.32
23	B₂	1563	1553	10.54
24	B₂	1464	1455	1.46
25	B₂	1338	1330	0.12
26	B₂	1290	1282	0.01
27	B₂	1197	1189	0.69
28	B₂	1075	1068	7.03
29	B₂	634	630	0.11
30	B₂	378	376	1.45

Atom	y (Å)	z (Å)
F1	0.000	2.326
C2	0.000	0.944
C3	1.220	0.254
C4	-1.220	0.254
C5	1.217	-1.151
C6	-1.217	-1.151
C7	0.000	-1.858
H8	2.150	0.820
H9	-2.150	0.820
H10	2.165	-1.691
H11	-2.165	-1.691
H12	0.000	-2.949

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3829	2.4045	2.4045	3.6845	3.6845	4.1850	2.6253	2.6253	4.5639	4.5639	5.2753
C2	1.3829		1.4012	1.4012	2.4227	2.4227	2.8021	2.1538	2.1538	3.4102	3.4102	3.8924
C3	2.4045	1.4012		2.4400	1.4054	2.8136	2.4398	1.0890	3.4175	2.1630	3.9044	3.4277
C4	2.4045	1.4012	2.4400		2.8136	1.4054	2.4398	3.4175	1.0890	3.9044	2.1630	3.4277
C5	3.6845	2.4227	1.4054	2.8136		2.4349	1.4081	2.1810	3.9024	1.0908	3.4254	2.1713
C6	3.6845	2.4227	2.8136	1.4054	2.4349		1.4081	3.9024	2.1810	3.4254	1.0908	2.1713
C7	4.1850	2.8021	2.4398	2.4398	1.4081	1.4081		3.4352	3.4352	2.1715	2.1715	1.0903
H8	2.6253	2.1538	1.0890	3.4175	2.1810	3.9024	3.4352		4.3006	2.5117	4.9931	4.3395
H9	2.6253	2.1538	3.4175	1.0890	3.9024	2.1810	3.4352	4.3006		4.9931	2.5117	4.3395
H10	4.5639	3.4102	2.1630	3.9044	1.0908	3.4254	2.1715	2.5117	4.9931		4.3301	2.5038
H11	4.5639	3.4102	3.9044	2.1630	3.4254	1.0908	2.1715	4.9931	2.5117	4.3301		2.5038
H12	5.2753	3.8924	3.4277	3.4277	2.1713	2.1713	1.0903	4.3395	4.3395	2.5038	2.5038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.462	F1	C2	C4	119.462
C2	C3	C5	119.360	C2	C3	H8	119.221
C2	C4	C6	119.360	C2	C4	H9	119.221
C3	C2	C4	121.076	C3	C5	C7	120.262
C3	C5	H10	119.584	C4	C6	C7	120.262
C4	C6	H11	119.584	C5	C3	H8	121.419
C5	C7	C6	119.680	C5	C7	H12	120.160
C6	C4	H9	121.419	C6	C7	H12	120.160
C7	C5	H10	120.154	C7	C6	H11	120.154

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: BLYP/3-21G*

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	-0.256
2	C	0.260
3	C	-0.195
4	C	-0.195
5	C	-0.164
6	C	-0.164
7	C	-0.166
8	H	0.184
9	H	0.184
10	H	0.172
11	H	0.172
12	H	0.167

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)