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	hartrees
Energy at 0K	-330.540106
Energy at 298.15K	-330.545638
HF Energy	-329.576005
Nuclear repulsion energy	267.413183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3102	0.37
2	A₁	3246	3092	12.09
3	A₁	3223	3070	0.18
4	A₁	1663	1584	50.08
5	A₁	1530	1457	81.35
6	A₁	1275	1215	80.59
7	A₁	1169	1114	6.11
8	A₁	1040	991	3.93
9	A₁	1015	966	0.31
10	A₁	821	782	22.40
11	A₁	516	491	3.44
12	A₂	952	907	0.00
13	A₂	837	797	0.00
14	A₂	415	396	0.00
15	B₁	954	909	0.00
16	B₁	898	855	7.84
17	B₁	763	727	74.88
18	B₁	646	615	5.79
19	B₁	507	483	6.49
20	B₁	239	227	0.08
21	B₂	3255	3100	3.61
22	B₂	3233	3079	6.74
23	B₂	1660	1581	6.46
24	B₂	1485	1415	0.16
25	B₂	1474	1404	1.76
26	B₂	1313	1251	0.27
27	B₂	1169	1114	0.11
28	B₂	1086	1035	8.10
29	B₂	614	585	0.10
30	B₂	401	382	2.21

Atom	y (Å)	z (Å)
F1	0.000	2.293
C2	0.000	0.942
C3	1.223	0.263
C4	-1.223	0.263
C5	1.216	-1.142
C6	-1.216	-1.142
C7	0.000	-1.848
H8	2.155	0.834
H9	-2.155	0.834
H10	2.167	-1.685
H11	-2.167	-1.685
H12	0.000	-2.942

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3515	2.3701	2.3701	3.6441	3.6441	4.1407	2.6019	2.6019	4.5295	4.5295	5.2350
C2	1.3515		1.3985	1.3985	2.4126	2.4126	2.7892	2.1574	2.1574	3.4046	3.4046	3.8835
C3	2.3701	1.3985		2.4451	1.4049	2.8140	2.4388	1.0936	3.4254	2.1640	3.9088	3.4298
C4	2.3701	1.3985	2.4451		2.8140	1.4049	2.4388	3.4254	1.0936	3.9088	2.1640	3.4298
C5	3.6441	2.4126	1.4049	2.8140		2.4314	1.4055	2.1885	3.9074	1.0948	3.4256	2.1718
C6	3.6441	2.4126	2.8140	1.4049	2.4314		1.4055	3.9074	2.1885	3.4256	1.0948	2.1718
C7	4.1407	2.7892	2.4388	2.4388	1.4055	1.4055		3.4405	3.4405	2.1729	2.1729	1.0943
H8	2.6019	2.1574	1.0936	3.4254	2.1885	3.9074	3.4405		4.3094	2.5191	5.0021	4.3479
H9	2.6019	2.1574	3.4254	1.0936	3.9074	2.1885	3.4405	4.3094		5.0021	2.5191	4.3479
H10	4.5295	3.4046	2.1640	3.9088	1.0948	3.4256	2.1729	2.5191	5.0021		4.3335	2.5051
H11	4.5295	3.4046	3.9088	2.1640	3.4256	1.0948	2.1729	5.0021	2.5191	4.3335		2.5051
H12	5.2350	3.8835	3.4298	3.4298	2.1718	2.1718	1.0943	4.3479	4.3479	2.5051	2.5051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.047	F1	C2	C4	119.047
C2	C3	C5	118.768	C2	C3	H8	119.420
C2	C4	C6	118.768	C2	C4	H9	119.420
C3	C2	C4	121.906	C3	C5	C7	120.401
C3	C5	H10	119.412	C4	C6	C7	120.401
C4	C6	H11	119.412	C5	C3	H8	121.812
C5	C7	C6	119.757	C5	C7	H12	120.122
C6	C4	H9	121.812	C6	C7	H12	120.122
C7	C5	H10	120.187	C7	C6	H11	120.187

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)