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	hartrees
Energy at 0K	-330.513432
Energy at 298.15K	-330.518874
HF Energy	-329.552490
Nuclear repulsion energy	268.566430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3083	0.00
2	A₁	3223	3069	19.88
3	A₁	3200	3048	0.03
4	A₁	1696	1615	45.59
5	A₁	1568	1493	77.67
6	A₁	1293	1231	75.16
7	A₁	1205	1148	6.37
8	A₁	1060	1010	3.83
9	A₁	1030	981	0.20
10	A₁	833	794	20.71
11	A₁	526	501	3.66
12	A₂	923	879	0.00
13	A₂	829	789	0.00
14	A₂	414	395	0.00
15	B₁	916	872	0.93
16	B₁	868	827	3.80
17	B₁	753	717	93.72
18	B₁	576	549	0.06
19	B₁	495	472	5.48
20	B₁	240	229	0.11
21	B₂	3236	3082	7.07
22	B₂	3210	3057	11.54
23	B₂	1695	1614	7.85
24	B₂	1521	1448	2.15
25	B₂	1355	1290	0.59
26	B₂	1314	1251	0.15
27	B₂	1200	1143	0.45
28	B₂	1113	1060	6.23
29	B₂	631	601	0.07
30	B₂	406	386	2.60

Atom	y (Å)	z (Å)
F1	0.000	2.286
C2	0.000	0.928
C3	1.219	0.261
C4	-1.219	0.261
C5	1.210	-1.136
C6	-1.210	-1.136
C7	0.000	-1.837
H8	2.145	0.831
H9	-2.145	0.831
H10	2.154	-1.678
H11	-2.154	-1.678
H12	0.000	-2.925

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3580	2.3642	2.3642	3.6304	3.6304	4.1233	2.5924	2.5924	4.5119	4.5119	5.2117
C2	1.3580		1.3900	1.3900	2.3932	2.3932	2.7653	2.1473	2.1473	3.3814	3.3814	3.8537
C3	2.3642	1.3900		2.4385	1.3974	2.8022	2.4263	1.0872	3.4123	2.1525	3.8910	3.4114
C4	2.3642	1.3900	2.4385		2.8022	1.3974	2.4263	3.4123	1.0872	3.8910	2.1525	3.4114
C5	3.6304	2.3932	1.3974	2.8022		2.4195	1.3979	2.1783	3.8891	1.0887	3.4074	2.1594
C6	3.6304	2.3932	2.8022	1.3974	2.4195		1.3979	3.8891	2.1783	3.4074	1.0887	2.1594
C7	4.1233	2.7653	2.4263	2.4263	1.3979	1.3979		3.4231	3.4231	2.1602	2.1602	1.0883
H8	2.5924	2.1473	1.0872	3.4123	2.1783	3.8891	3.4231		4.2902	2.5087	4.9778	4.3254
H9	2.5924	2.1473	3.4123	1.0872	3.8891	2.1783	3.4231	4.2902		4.9778	2.5087	4.3254
H10	4.5119	3.3814	2.1525	3.8910	1.0887	3.4074	2.1602	2.5087	4.9778		4.3086	2.4893
H11	4.5119	3.3814	3.8910	2.1525	3.4074	1.0887	2.1602	4.9778	2.5087	4.3086		2.4893
H12	5.2117	3.8537	3.4114	3.4114	2.1594	2.1594	1.0883	4.3254	4.3254	2.4893	2.4893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.703	F1	C2	C4	118.703
C2	C3	C5	118.314	C2	C3	H8	119.684
C2	C4	C6	118.314	C2	C4	H9	119.684
C3	C2	C4	122.595	C3	C5	C7	120.457
C3	C5	H10	119.434	C4	C6	C7	120.457
C4	C6	H11	119.434	C5	C3	H8	122.002
C5	C7	C6	119.862	C5	C7	H12	120.069
C6	C4	H9	122.002	C6	C7	H12	120.069
C7	C5	H10	120.109	C7	C6	H11	120.109

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)