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	hartrees
Energy at 0K	-330.732719
Energy at 298.15K	-330.738008
HF Energy	-329.630881
Nuclear repulsion energy	267.507524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3227	0.16
2	A₁	3216	3216	8.54
3	A₁	3169	3169	0.52
4	A₁	1635	1635	48.51
5	A₁	1498	1498	82.88
6	A₁	1238	1238	92.96
7	A₁	1159	1159	12.13
8	A₁	1028	1028	5.17
9	A₁	987	987	2.18
10	A₁	796	796	23.05
11	A₁	510	510	4.57
12	A₂	953	953	0.00
13	A₂	828	828	0.00
14	A₂	406	406	0.00
15	B₁	927	927	0.76
16	B₁	865	865	0.76
17	B₁	747	747	97.18
18	B₁	480	480	6.93
19	B₁	414	414	0.75
20	B₁	228	228	0.03
21	B₂	3227	3227	0.92
22	B₂	3187	3187	7.71
23	B₂	1644	1644	5.18
24	B₂	1491	1491	0.12
25	B₂	1452	1452	0.89
26	B₂	1284	1284	0.64
27	B₂	1163	1163	0.06
28	B₂	1077	1077	7.30
29	B₂	600	600	0.07
30	B₂	398	398	2.05

Atom	y (Å)	z (Å)
F1	0.000	2.267
C2	0.000	0.974
C3	1.217	0.265
C4	-1.217	0.265
C5	1.211	-1.140
C6	-1.211	-1.140
C7	0.000	-1.849
H8	2.158	0.822
H9	-2.158	0.822
H10	2.162	-1.682
H11	-2.162	-1.682
H12	0.000	-2.943

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.2931	2.3425	2.3425	3.6156	3.6156	4.1162	2.5969	2.5969	4.5018	4.5018	5.2098
C2	1.2931		1.4081	1.4081	2.4360	2.4360	2.8231	2.1633	2.1633	3.4244	3.4244	3.9167
C3	2.3425	1.4081		2.4338	1.4051	2.8054	2.4398	1.0935	3.4205	2.1644	3.8999	3.4312
C4	2.3425	1.4081	2.4338		2.8054	1.4051	2.4398	3.4205	1.0935	3.8999	2.1644	3.4312
C5	3.6156	2.4360	1.4051	2.8054		2.4225	1.4038	2.1785	3.8989	1.0945	3.4166	2.1722
C6	3.6156	2.4360	2.8054	1.4051	2.4225		1.4038	3.8989	2.1785	3.4166	1.0945	2.1722
C7	4.1162	2.8231	2.4398	2.4398	1.4038	1.4038		3.4343	3.4343	2.1686	2.1686	1.0936
H8	2.5969	2.1633	1.0935	3.4205	2.1785	3.8989	3.4343		4.3159	2.5041	4.9933	4.3397
H9	2.5969	2.1633	3.4205	1.0935	3.8989	2.1785	3.4343	4.3159		4.9933	2.5041	4.3397
H10	4.5018	3.4244	2.1644	3.8999	1.0945	3.4166	2.1686	2.5041	4.9933		4.3242	2.5030
H11	4.5018	3.4244	3.8999	2.1644	3.4166	1.0945	2.1686	4.9933	2.5041	4.3242		2.5030
H12	5.2098	3.9167	3.4312	3.4312	2.1722	2.1722	1.0936	4.3397	4.3397	2.5030	2.5030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	120.208	F1	C2	C4	120.208
C2	C3	C5	119.976	C2	C3	H8	119.173
C2	C4	C6	119.976	C2	C4	H9	119.173
C3	C2	C4	119.585	C3	C5	C7	120.594
C3	C5	H10	119.454	C4	C6	C7	120.594
C4	C6	H11	119.454	C5	C3	H8	120.850
C5	C7	C6	119.275	C5	C7	H12	120.362
C6	C4	H9	120.850	C6	C7	H12	120.362
C7	C5	H10	119.953	C7	C6	H11	119.953

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2=FULL/Sadlej_pVTZ

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/Sadlej_pVTZ

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)