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	hartrees
Energy at 0K	-330.509129
Energy at 298.15K	-330.514530
HF Energy	-329.553024
Nuclear repulsion energy	268.964627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3075	0.02
2	A₁	3252	3064	13.80
3	A₁	3231	3044	0.09
4	A₁	1682	1585	44.98
5	A₁	1560	1470	80.46
6	A₁	1290	1216	76.01
7	A₁	1209	1139	7.71
8	A₁	1061	1000	4.39
9	A₁	1030	971	0.15
10	A₁	833	785	20.69
11	A₁	525	495	3.57
12	A₂	903	851	0.00
13	A₂	824	776	0.00
14	A₂	413	389	0.00
15	B₁	900	848	0.91
16	B₁	861	811	3.73
17	B₁	751	708	94.63
18	B₁	543	511	0.86
19	B₁	485	457	5.12
20	B₁	239	225	0.07
21	B₂	3263	3074	3.21
22	B₂	3239	3052	8.85
23	B₂	1683	1586	6.49
24	B₂	1515	1427	2.16
25	B₂	1470	1385	0.49
26	B₂	1349	1271	0.23
27	B₂	1214	1144	0.21
28	B₂	1116	1051	7.11
29	B₂	628	592	0.09
30	B₂	405	382	2.41

Atom	y (Å)	z (Å)
F1	0.000	2.285
C2	0.000	0.928
C3	1.217	0.259
C4	-1.217	0.259
C5	1.208	-1.135
C6	-1.208	-1.135
C7	0.000	-1.834
H8	2.141	0.829
H9	-2.141	0.829
H10	2.151	-1.675
H11	-2.151	-1.675
H12	0.000	-2.920

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3569	2.3625	2.3625	3.6268	3.6268	4.1187	2.5890	2.5890	4.5061	4.5061	5.2050
C2	1.3569		1.3880	1.3880	2.3905	2.3905	2.7618	2.1431	2.1431	3.3765	3.3765	3.8481
C3	2.3625	1.3880		2.4333	1.3947	2.7970	2.4215	1.0854	3.4054	2.1484	3.8837	3.4047
C4	2.3625	1.3880	2.4333		2.7970	1.3947	2.4215	3.4054	1.0854	3.8837	2.1484	3.4047
C5	3.6268	2.3905	1.3947	2.7970		2.4156	1.3955	2.1743	3.8820	1.0867	3.4018	2.1554
C6	3.6268	2.3905	2.7970	1.3947	2.4156		1.3955	3.8820	2.1743	3.4018	1.0867	2.1554
C7	4.1187	2.7618	2.4215	2.4215	1.3955	1.3955		3.4167	3.4167	2.1568	2.1568	1.0863
H8	2.5890	2.1431	1.0854	3.4054	2.1743	3.8820	3.4167		4.2817	2.5038	4.9687	4.3173
H9	2.5890	2.1431	3.4054	1.0854	3.8820	2.1743	3.4167	4.2817		4.9687	2.5038	4.3173
H10	4.5061	3.3765	2.1484	3.8837	1.0867	3.4018	2.1568	2.5038	4.9687		4.3018	2.4854
H11	4.5061	3.3765	3.8837	2.1484	3.4018	1.0867	2.1568	4.9687	2.5038	4.3018		2.4854
H12	5.2050	3.8481	3.4047	3.4047	2.1554	2.1554	1.0863	4.3173	4.3173	2.4854	2.4854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.776	F1	C2	C4	118.776
C2	C3	C5	118.413	C2	C3	H8	119.597
C2	C4	C6	118.413	C2	C4	H9	119.597
C3	C2	C4	122.449	C3	C5	C7	120.420
C3	C5	H10	119.427	C4	C6	C7	120.420
C4	C6	H11	119.427	C5	C3	H8	121.990
C5	C7	C6	119.885	C5	C7	H12	120.057
C6	C4	H9	121.990	C6	C7	H12	120.057
C7	C5	H10	120.154	C7	C6	H11	120.154

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2=FULL/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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All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)