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	hartrees
Energy at 0K	-328.376638
Energy at 298.15K	-328.382238
HF Energy	-327.739368
Nuclear repulsion energy	266.543387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3082	0.02
2	A₁	3222	3065	12.56
3	A₁	3198	3043	0.00
4	A₁	1622	1543	51.25
5	A₁	1544	1469	43.54
6	A₁	1297	1234	43.49
7	A₁	1230	1170	3.81
8	A₁	1055	1004	0.44
9	A₁	1024	974	2.27
10	A₁	830	790	12.83
11	A₁	538	512	2.67
12	A₂	949	903	0.00
13	A₂	847	806	0.00
14	A₂	433	412	0.00
15	B₁	936	890	0.00
16	B₁	903	859	15.26
17	B₁	768	730	104.78
18	B₁	684	650	9.28
19	B₁	515	490	7.69
20	B₁	246	234	0.14
21	B₂	3236	3079	3.75
22	B₂	3209	3053	7.22
23	B₂	1602	1524	8.86
24	B₂	1502	1429	2.23
25	B₂	1377	1310	0.24
26	B₂	1323	1258	0.06
27	B₂	1237	1177	0.87
28	B₂	1101	1048	6.25
29	B₂	653	621	0.07
30	B₂	391	372	2.33

Atom	y (Å)	z (Å)
F1	0.000	2.324
C2	0.000	0.940
C3	1.218	0.255
C4	-1.218	0.255
C5	1.217	-1.150
C6	-1.217	-1.150
C7	0.000	-1.856
H8	2.145	0.819
H9	-2.145	0.819
H10	2.160	-1.687
H11	-2.160	-1.687
H12	0.000	-2.942

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3841	2.4008	2.4008	3.6805	3.6805	4.1803	2.6203	2.6203	4.5561	4.5561	5.2664
C2	1.3841		1.3973	1.3973	2.4179	2.4179	2.7962	2.1481	2.1481	3.4014	3.4014	3.8822
C3	2.4008	1.3973		2.4361	1.4048	2.8108	2.4376	1.0846	3.4097	2.1590	3.8970	3.4217
C4	2.4008	1.3973	2.4361		2.8108	1.4048	2.4376	3.4097	1.0846	3.8970	2.1590	3.4217
C5	3.6805	2.4179	1.4048	2.8108		2.4330	1.4069	2.1762	3.8952	1.0862	3.4193	2.1665
C6	3.6805	2.4179	2.8108	1.4048	2.4330		1.4069	3.8952	2.1762	3.4193	1.0862	2.1665
C7	4.1803	2.7962	2.4376	2.4376	1.4069	1.4069		3.4286	3.4286	2.1669	2.1669	1.0860
H8	2.6203	2.1481	1.0846	3.4097	2.1762	3.8952	3.4286		4.2894	2.5062	4.9813	4.3296
H9	2.6203	2.1481	3.4097	1.0846	3.8952	2.1762	3.4286	4.2894		4.9813	2.5062	4.3296
H10	4.5561	3.4014	2.1590	3.8970	1.0862	3.4193	2.1669	2.5062	4.9813		4.3205	2.4983
H11	4.5561	3.4014	3.8970	2.1590	3.4193	1.0862	2.1669	4.9813	2.5062	4.3205		2.4983
H12	5.2664	3.8822	3.4217	3.4217	2.1665	2.1665	1.0860	4.3296	4.3296	2.4983	2.4983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.342	F1	C2	C4	119.342
C2	C3	C5	119.279	C2	C3	H8	119.353
C2	C4	C6	119.279	C2	C4	H9	119.353
C3	C2	C4	121.316	C3	C5	C7	120.215
C3	C5	H10	119.612	C4	C6	C7	120.215
C4	C6	H11	119.612	C5	C3	H8	121.367
C5	C7	C6	119.696	C5	C7	H12	120.152
C6	C4	H9	121.367	C6	C7	H12	120.152
C7	C5	H10	120.173	C7	C6	H11	120.173

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)