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	hartrees
Energy at 0K	-330.477002
Energy at 298.15K	-330.482354
HF Energy	-329.552715
Nuclear repulsion energy	268.685809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3076	0.06
2	A₁	3251	3065	13.85
3	A₁	3230	3046	0.10
4	A₁	1679	1584	44.31
5	A₁	1558	1469	80.21
6	A₁	1288	1214	76.21
7	A₁	1207	1138	7.80
8	A₁	1059	999	4.36
9	A₁	1029	970	0.16
10	A₁	832	784	20.76
11	A₁	524	494	3.60
12	A₂	893	842	0.00
13	A₂	816	769	0.00
14	A₂	408	385	0.00
15	B₁	892	841	0.82
16	B₁	851	803	2.98
17	B₁	744	702	95.65
18	B₁	521	491	1.18
19	B₁	473	446	4.67
20	B₁	237	223	0.06
21	B₂	3261	3075	3.36
22	B₂	3238	3054	8.84
23	B₂	1680	1584	6.42
24	B₂	1513	1426	2.14
25	B₂	1468	1384	0.50
26	B₂	1347	1270	0.22
27	B₂	1212	1143	0.21
28	B₂	1114	1051	7.03
29	B₂	627	591	0.09
30	B₂	403	381	2.43

Atom	y (Å)	z (Å)
F1	0.000	2.286
C2	0.000	0.930
C3	1.218	0.260
C4	-1.218	0.260
C5	1.209	-1.136
C6	-1.209	-1.136
C7	0.000	-1.836
H8	2.143	0.829
H9	-2.143	0.829
H10	2.153	-1.676
H11	-2.153	-1.676
H12	0.000	-2.923

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3567	2.3645	2.3645	3.6301	3.6301	4.1228	2.5915	2.5915	4.5096	4.5096	5.2093
C2	1.3567		1.3901	1.3901	2.3939	2.3939	2.7661	2.1451	2.1451	3.3800	3.3800	3.8527
C3	2.3645	1.3901		2.4359	1.3961	2.7999	2.4242	1.0858	3.4085	2.1497	3.8869	3.4077
C4	2.3645	1.3901	2.4359		2.7999	1.3961	2.4242	3.4085	1.0858	3.8869	2.1497	3.4077
C5	3.6301	2.3939	1.3961	2.7999		2.4182	1.3971	2.1756	3.8854	1.0870	3.4047	2.1572
C6	3.6301	2.3939	2.7999	1.3961	2.4182		1.3971	3.8854	2.1756	3.4047	1.0870	2.1572
C7	4.1228	2.7661	2.4242	2.4242	1.3971	1.3971		3.4196	3.4196	2.1585	2.1585	1.0866
H8	2.5915	2.1451	1.0858	3.4085	2.1756	3.8854	3.4196		4.2854	2.5050	4.9723	4.3204
H9	2.5915	2.1451	3.4085	1.0858	3.8854	2.1756	3.4196	4.2854		4.9723	2.5050	4.3204
H10	4.5096	3.3800	2.1497	3.8869	1.0870	3.4047	2.1585	2.5050	4.9723		4.3051	2.4875
H11	4.5096	3.3800	3.8869	2.1497	3.4047	1.0870	2.1585	4.9723	2.5050	4.3051		2.4875
H12	5.2093	3.8527	3.4077	3.4077	2.1572	2.1572	1.0866	4.3204	4.3204	2.4875	2.4875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.819	F1	C2	C4	118.819
C2	C3	C5	118.456	C2	C3	H8	119.576
C2	C4	C6	118.456	C2	C4	H9	119.576
C3	C2	C4	122.362	C3	C5	C7	120.431
C3	C5	H10	119.415	C4	C6	C7	120.431
C4	C6	H11	119.415	C5	C3	H8	121.968
C5	C7	C6	119.865	C5	C7	H12	120.068
C6	C4	H9	121.968	C6	C7	H12	120.068
C7	C5	H10	120.155	C7	C6	H11	120.155

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)