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	hartrees
Energy at 0K	-330.679574
Energy at 298.15K
HF Energy	-329.663217
Nuclear repulsion energy	269.489542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3088	0.42
2	A₁	3247	3077	11.60
3	A₁	3224	3056	0.16
4	A₁	1649	1563	48.55
5	A₁	1534	1454	79.42
6	A₁	1258	1193	95.26
7	A₁	1187	1125	12.23
8	A₁	1044	990	5.29
9	A₁	1011	959	0.75
10	A₁	821	778	24.01
11	A₁	522	495	4.23
12	A₂	731	693	0.00
13	A₂	618	586	0.00
14	A₂	174i	165i	0.00
15	B₁	770	730	4.11
16	B₁	690	654	78.33
17	B₁	674	639	27.54
18	B₁	424	402	5.19
19	B₁	165	157	0.04
20	B₁	1678i	1591i	0.31
21	B₂	3255	3086	2.84
22	B₂	3233	3065	7.36
23	B₂	1654	1568	6.82
24	B₂	1493	1415	1.10
25	B₂	1439	1364	0.37
26	B₂	1335	1265	0.57
27	B₂	1191	1129	0.16
28	B₂	1099	1041	7.50
29	B₂	621	589	0.13
30	B₂	407	386	2.40

Atom	y (Å)	z (Å)
F1	0.000	2.256
C2	0.000	0.965
C3	1.207	0.261
C4	-1.207	0.261
C5	1.202	-1.132
C6	-1.202	-1.132
C7	0.000	-1.834
H8	2.140	0.812
H9	-2.140	0.812
H10	2.143	-1.669
H11	-2.143	-1.669
H12	0.000	-2.917

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.2911	2.3320	2.3320	3.5950	3.5950	4.0898	2.5815	2.5815	4.4722	4.4722	5.1731
C2	1.2911		1.3974	1.3974	2.4171	2.4171	2.7987	2.1452	2.1452	3.3959	3.3959	3.8820
C3	2.3320	1.3974		2.4139	1.3927	2.7825	2.4172	1.0835	3.3918	2.1449	3.8662	3.3991
C4	2.3320	1.3974	2.4139		2.7825	1.3927	2.4172	3.3918	1.0835	3.8662	2.1449	3.3991
C5	3.5950	2.4171	1.3927	2.7825		2.4039	1.3918	2.1584	3.8660	1.0837	3.3880	2.1519
C6	3.5950	2.4171	2.7825	1.3927	2.4039		1.3918	3.8660	2.1584	3.3880	1.0837	2.1519
C7	4.0898	2.7987	2.4172	2.4172	1.3918	1.3918		3.4026	3.4026	2.1496	2.1496	1.0833
H8	2.5815	2.1452	1.0835	3.3918	2.1584	3.8660	3.4026		4.2795	2.4811	4.9497	4.2992
H9	2.5815	2.1452	3.3918	1.0835	3.8660	2.1584	3.4026	4.2795		4.9497	2.4811	4.2992
H10	4.4722	3.3959	2.1449	3.8662	1.0837	3.3880	2.1496	2.4811	4.9497		4.2865	2.4801
H11	4.4722	3.3959	3.8662	2.1449	3.3880	1.0837	2.1496	4.9497	2.4811	4.2865		2.4801
H12	5.1731	3.8820	3.3991	3.3991	2.1519	2.1519	1.0833	4.2992	4.2992	2.4801	2.4801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	120.268	F1	C2	C4	120.268
C2	C3	C5	120.063	C2	C3	H8	119.148
C2	C4	C6	120.063	C2	C4	H9	119.148
C3	C2	C4	119.464	C3	C5	C7	120.480
C3	C5	H10	119.502	C4	C6	C7	120.480
C4	C6	H11	119.502	C5	C3	H8	120.789
C5	C7	C6	119.451	C5	C7	H12	120.275
C6	C4	H9	120.789	C6	C7	H12	120.275
C7	C5	H10	120.019	C7	C6	H11	120.019

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)