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	hartrees
Energy at 0K	-327.905318
Energy at 298.15K	-327.910941
Nuclear repulsion energy	269.207486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3114	0.00
2	A₁	3151	3099	4.69
3	A₁	3129	3078	0.07
4	A₁	1642	1615	60.18
5	A₁	1527	1502	70.77
6	A₁	1317	1295	27.32
7	A₁	1182	1162	3.37
8	A₁	1038	1021	3.61
9	A₁	1026	1009	0.02
10	A₁	840	826	11.87
11	A₁	534	525	2.06
12	A₂	974	958	0.00
13	A₂	829	815	0.00
14	A₂	431	424	0.00
15	B₁	998	982	2.45
16	B₁	923	908	18.29
17	B₁	778	766	47.53
18	B₁	714	702	61.30
19	B₁	519	511	15.50
20	B₁	243	239	0.00
21	B₂	3163	3111	0.05
22	B₂	3137	3086	3.58
23	B₂	1617	1590	12.27
24	B₂	1471	1447	3.19
25	B₂	1388	1365	0.24
26	B₂	1322	1300	0.21
27	B₂	1189	1169	0.23
28	B₂	1089	1071	10.57
29	B₂	637	626	0.11
30	B₂	387	381	1.45

Atom	y (Å)	z (Å)
F1	0.000	2.292
C2	0.000	0.938
C3	1.205	0.253
C4	-1.205	0.253
C5	1.203	-1.136
C6	-1.203	-1.136
C7	0.000	-1.836
H8	2.137	0.822
H9	-2.137	0.822
H10	2.154	-1.677
H11	-2.154	-1.677
H12	0.000	-2.929

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3538	2.3681	2.3681	3.6328	3.6328	4.1275	2.5938	2.5938	4.5157	4.5157	5.2206
C2	1.3538		1.3860	1.3860	2.3977	2.3977	2.7737	2.1404	2.1404	3.3879	3.3879	3.8668
C3	2.3681	1.3860		2.4101	1.3891	2.7803	2.4116	1.0921	3.3904	2.1509	3.8741	3.4026
C4	2.3681	1.3860	2.4101		2.7803	1.3891	2.4116	3.3904	1.0921	3.8741	2.1509	3.4026
C5	3.6328	2.3977	1.3891	2.7803		2.4068	1.3921	2.1693	3.8722	1.0937	3.4006	2.1594
C6	3.6328	2.3977	2.7803	1.3891	2.4068		1.3921	3.8722	2.1693	3.4006	1.0937	2.1594
C7	4.1275	2.7737	2.4116	2.4116	1.3921	1.3921		3.4105	3.4105	2.1597	2.1597	1.0932
H8	2.5938	2.1404	1.0921	3.3904	2.1693	3.8722	3.4105		4.2746	2.4993	4.9659	4.3171
H9	2.5938	2.1404	3.3904	1.0921	3.8722	2.1693	3.4105	4.2746		4.9659	2.4993	4.3171
H10	4.5157	3.3879	2.1509	3.8741	1.0937	3.4006	2.1597	2.4993	4.9659		4.3077	2.4912
H11	4.5157	3.3879	3.8741	2.1509	3.4006	1.0937	2.1597	4.9659	2.4993	4.3077		2.4912
H12	5.2206	3.8668	3.4026	3.4026	2.1594	2.1594	1.0932	4.3171	4.3171	2.4912	2.4912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.608	F1	C2	C4	119.608
C2	C3	C5	119.540	C2	C3	H8	118.999
C2	C4	C6	119.540	C2	C4	H9	118.999
C3	C2	C4	120.784	C3	C5	C7	120.246
C3	C5	H10	119.592	C4	C6	C7	120.246
C4	C6	H11	119.592	C5	C3	H8	121.461
C5	C7	C6	119.643	C5	C7	H12	120.179
C6	C4	H9	121.461	C6	C7	H12	120.179
C7	C5	H10	120.162	C7	C6	H11	120.162

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: LSDA/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	-0.241
2	C	0.243
3	C	-0.235
4	C	-0.235
5	C	-0.208
6	C	-0.208
7	C	-0.208
8	H	0.227
9	H	0.227
10	H	0.215
11	H	0.215
12	H	0.210

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: LSDA/3-21G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)