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	hartrees
Energy at 0K	-330.094055
Energy at 298.15K	-330.099316
HF Energy	-329.443043
Nuclear repulsion energy	264.865396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3071	0.28
2	A₁	3214	3054	20.42
3	A₁	3189	3030	0.06
4	A₁	1627	1546	30.29
5	A₁	1532	1456	50.46
6	A₁	1243	1181	36.15
7	A₁	1209	1149	20.65
8	A₁	1050	998	3.46
9	A₁	1024	972	0.98
10	A₁	810	769	19.15
11	A₁	520	494	4.68
12	A₂	867	824	0.00
13	A₂	797	758	0.00
14	A₂	407	387	0.00
15	B₁	865	821	0.92
16	B₁	829	787	1.05
17	B₁	726	690	117.71
18	B₁	479	455	0.01
19	B₁	468	445	5.73
20	B₁	231	219	0.38
21	B₂	3229	3068	7.26
22	B₂	3201	3041	12.39
23	B₂	1636	1555	7.51
24	B₂	1498	1423	2.29
25	B₂	1381	1312	0.10
26	B₂	1359	1291	0.24
27	B₂	1226	1165	0.33
28	B₂	1104	1049	6.11
29	B₂	636	605	0.08
30	B₂	384	365	3.44

Atom	y (Å)	z (Å)
F1	0.000	2.341
C2	0.000	0.925
C3	1.233	0.258
C4	-1.233	0.258
C5	1.224	-1.155
C6	-1.224	-1.155
C7	0.000	-1.861
H8	2.160	0.827
H9	-2.160	0.827
H10	2.169	-1.697
H11	-2.169	-1.697
H12	0.000	-2.951

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.4158	2.4207	2.4207	3.7041	3.7041	4.2025	2.6377	2.6377	4.5843	4.5843	5.2925
C2	1.4158		1.4018	1.4018	2.4135	2.4135	2.7867	2.1623	2.1623	3.4036	3.4036	3.8767
C3	2.4207	1.4018		2.4651	1.4126	2.8336	2.4514	1.0885	3.4401	2.1679	3.9237	3.4376
C4	2.4207	1.4018	2.4651		2.8336	1.4126	2.4514	3.4401	1.0885	3.9237	2.1679	3.4376
C5	3.7041	2.4135	1.4126	2.8336		2.4478	1.4132	2.1922	3.9218	1.0901	3.4363	2.1738
C6	3.7041	2.4135	2.8336	1.4126	2.4478		1.4132	3.9218	2.1922	3.4363	1.0901	2.1738
C7	4.2025	2.7867	2.4514	2.4514	1.4132	1.4132		3.4489	3.4489	2.1756	2.1756	1.0900
H8	2.6377	2.1623	1.0885	3.4401	2.1922	3.9218	3.4489		4.3201	2.5248	5.0118	4.3526
H9	2.6377	2.1623	3.4401	1.0885	3.9218	2.1922	3.4489	4.3201		5.0118	2.5248	4.3526
H10	4.5843	3.4036	2.1679	3.9237	1.0901	3.4363	2.1756	2.5248	5.0118		4.3387	2.5057
H11	4.5843	3.4036	3.9237	2.1679	3.4363	1.0901	2.1756	5.0118	2.5248	4.3387		2.5057
H12	5.2925	3.8767	3.4376	3.4376	2.1738	2.1738	1.0900	4.3526	4.3526	2.5057	2.5057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.442	F1	C2	C4	118.442
C2	C3	C5	118.091	C2	C3	H8	119.998
C2	C4	C6	118.091	C2	C4	H9	119.998
C3	C2	C4	123.115	C3	C5	C7	120.347
C3	C5	H10	119.495	C4	C6	C7	120.347
C4	C6	H11	119.495	C5	C3	H8	121.912
C5	C7	C6	120.008	C5	C7	H12	119.996
C6	C4	H9	121.912	C6	C7	H12	119.996
C7	C5	H10	120.158	C7	C6	H11	120.158

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)