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	hartrees
Energy at 0K	-330.574968
Energy at 298.15K	-330.580328
HF Energy	-329.573741
Nuclear repulsion energy	268.347333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	3102	0.13
2	A₁	3268	3090	17.85
3	A₁	3246	3069	0.02
4	A₁	1685	1593	47.83
5	A₁	1562	1476	71.69
6	A₁	1265	1196	96.43
7	A₁	1200	1135	12.15
8	A₁	1056	998	5.65
9	A₁	1026	970	0.30
10	A₁	825	780	26.58
11	A₁	523	495	4.98
12	A₂	930	880	0.00
13	A₂	825	780	0.00
14	A₂	403	381	0.00
15	B₁	916	866	0.81
16	B₁	869	822	3.35
17	B₁	748	707	110.87
18	B₁	510	482	5.82
19	B₁	459	434	3.60
20	B₁	230	218	0.07
21	B₂	3279	3100	6.09
22	B₂	3255	3078	10.14
23	B₂	1691	1598	7.06
24	B₂	1519	1436	1.01
25	B₂	1361	1286	0.71
26	B₂	1318	1246	0.00
27	B₂	1194	1129	0.17
28	B₂	1109	1049	6.10
29	B₂	628	593	0.12
30	B₂	403	381	2.74

Atom	y (Å)	z (Å)
F1	0.000	2.291
C2	0.000	0.924
C3	1.222	0.261
C4	-1.222	0.261
C5	1.211	-1.138
C6	-1.211	-1.138
C7	0.000	-1.839
H8	2.143	0.828
H9	-2.143	0.828
H10	2.150	-1.677
H11	-2.150	-1.677
H12	0.000	-2.921

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3666	2.3689	2.3689	3.6363	3.6363	4.1295	2.5944	2.5944	4.5127	4.5127	5.2118
C2	1.3666		1.3901	1.3901	2.3915	2.3915	2.7629	2.1450	2.1450	3.3747	3.3747	3.8452
C3	2.3689	1.3901		2.4437	1.3993	2.8067	2.4296	1.0814	3.4121	2.1489	3.8893	3.4088
C4	2.3689	1.3901	2.4437		2.8067	1.3993	2.4296	3.4121	1.0814	3.8893	2.1489	3.4088
C5	3.6363	2.3915	1.3993	2.8067		2.4223	1.3993	2.1756	3.8877	1.0827	3.4043	2.1555
C6	3.6363	2.3915	2.8067	1.3993	2.4223		1.3993	3.8877	2.1756	3.4043	1.0827	2.1555
C7	4.1295	2.7629	2.4296	2.4296	1.3993	1.3993		3.4210	3.4210	2.1563	2.1563	1.0823
H8	2.5944	2.1450	1.0814	3.4121	2.1756	3.8877	3.4210		4.2856	2.5048	4.9704	4.3183
H9	2.5944	2.1450	3.4121	1.0814	3.8877	2.1756	3.4210	4.2856		4.9704	2.5048	4.3183
H10	4.5127	3.3747	2.1489	3.8893	1.0827	3.4043	2.1563	2.5048	4.9704		4.3005	2.4843
H11	4.5127	3.3747	3.8893	2.1489	3.4043	1.0827	2.1563	4.9704	2.5048	4.3005		2.4843
H12	5.2118	3.8452	3.4088	3.4088	2.1555	2.1555	1.0823	4.3183	4.3183	2.4843	2.4843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.483	F1	C2	C4	118.483
C2	C3	C5	118.046	C2	C3	H8	119.906
C2	C4	C6	118.046	C2	C4	H9	119.906
C3	C2	C4	123.034	C3	C5	C7	120.490
C3	C5	H10	119.407	C4	C6	C7	120.490
C4	C6	H11	119.407	C5	C3	H8	122.049
C5	C7	C6	119.894	C5	C7	H12	120.053
C6	C4	H9	122.049	C6	C7	H12	120.053
C7	C5	H10	120.103	C7	C6	H11	120.103

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: QCISD/6-31+G**

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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All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)