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	hartrees
Energy at 0K	-61.002761
Energy at 298.15K	-61.008269
Nuclear repulsion energy	134.314279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3129	1.86
2	A₁	3208	3107	29.80
3	A₁	3169	3069	0.00
4	A₁	1633	1581	34.77
5	A₁	1507	1460	71.43
6	A₁	1206	1168	40.60
7	A₁	1172	1135	31.60
8	A₁	1032	1000	11.30
9	A₁	997	966	0.89
10	A₁	788	763	27.17
11	A₁	502	486	5.01
12	A₂	1013	981	0.00
13	A₂	870	842	0.00
14	A₂	420	407	0.00
15	B₁	1032	999	0.11
16	B₁	946	916	6.50
17	B₁	794	769	149.92
18	B₁	686	664	12.00
19	B₁	499	484	10.17
20	B₁	235	227	0.28
21	B₂	3226	3124	14.73
22	B₂	3188	3087	17.10
23	B₂	1649	1597	9.37
24	B₂	1474	1427	3.40
25	B₂	1383	1340	0.05
26	B₂	1332	1290	0.77
27	B₂	1185	1147	0.09
28	B₂	1088	1053	9.81
29	B₂	611	592	0.18
30	B₂	377	365	3.08

Atom	y (Å)	z (Å)
F1	0.000	2.345
C2	0.000	0.931
C3	1.247	0.264
C4	-1.247	0.264
C5	1.235	-1.160
C6	-1.235	-1.160
C7	0.000	-1.872
H8	2.176	0.836
H9	-2.176	0.836
H10	2.182	-1.705
H11	-2.182	-1.705
H12	0.000	-2.965

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.4139	2.4265	2.4265	3.7168	3.7168	4.2176	2.6480	2.6480	4.6006	4.6006	5.3100
C2	1.4139		1.4145	1.4145	2.4290	2.4290	2.8037	2.1777	2.1777	3.4222	3.4222	3.8961
C3	2.4265	1.4145		2.4940	1.4244	2.8613	2.4734	1.0906	3.4701	2.1795	3.9541	3.4609
C4	2.4265	1.4145	2.4940		2.8613	1.4244	2.4734	3.4701	1.0906	3.9541	2.1795	3.4609
C5	3.7168	2.4290	1.4244	2.8613		2.4692	1.4251	2.2069	3.9515	1.0928	3.4598	2.1862
C6	3.7168	2.4290	2.8613	1.4244	2.4692		1.4251	3.9515	2.2069	3.4598	1.0928	2.1862
C7	4.2176	2.8037	2.4734	2.4734	1.4251	1.4251		3.4737	3.4737	2.1886	2.1886	1.0924
H8	2.6480	2.1777	1.0906	3.4701	2.2069	3.9515	3.4737		4.3512	2.5406	5.0443	4.3791
H9	2.6480	2.1777	3.4701	1.0906	3.9515	2.2069	3.4737	4.3512		5.0443	2.5406	4.3791
H10	4.6006	3.4222	2.1795	3.9541	1.0928	3.4598	2.1886	2.5406	5.0443		4.3643	2.5197
H11	4.6006	3.4222	3.9541	2.1795	3.4598	1.0928	2.1886	5.0443	2.5406	4.3643		2.5197
H12	5.3100	3.8961	3.4609	3.4609	2.1862	2.1862	1.0924	4.3791	4.3791	2.5197	2.5197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.163	F1	C2	C4	118.163
C2	C3	C5	117.663	C2	C3	H8	120.207
C2	C4	C6	117.663	C2	C4	H9	120.207
C3	C2	C4	123.675	C3	C5	C7	120.464
C3	C5	H10	119.377	C4	C6	C7	120.464
C4	C6	H11	119.377	C5	C3	H8	122.130
C5	C7	C6	120.071	C5	C7	H12	119.964
C6	C4	H9	122.130	C6	C7	H12	119.964
C7	C5	H10	120.159	C7	C6	H11	120.159

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: B3LYP/CEP-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	-0.182
2	C	-0.015
3	C	-0.198
4	C	-0.198
5	C	-0.296
6	C	-0.296
7	C	-0.231
8	H	0.300
9	H	0.300
10	H	0.271
11	H	0.271
12	H	0.273

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)