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	hartrees
Energy at 0K	-60.206013
Energy at 298.15K	-60.211408
HF Energy	-59.578631
Nuclear repulsion energy	133.693212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3102	0.34
2	A'	3160	3084	29.13
3	A'	3134	3058	0.07
4	A'	1584	1546	31.23
5	A'	1487	1452	52.32
6	A'	1195	1167	10.03
7	A'	1155	1128	63.38
8	A'	1053	1028	3.27
9	A'	1030	1005	3.42
10	A'	990	966	4.09
11	A'	871	850	6.06
12	A'	774	756	30.39
13	A'	733	715	110.07
14	A'	666	650	11.77
15	A'	500	488	6.53
16	A'	458	447	9.48
17	A'	224	219	0.39
18	A"	3175	3099	12.81
19	A"	3145	3070	16.95
20	A"	1599	1561	7.31
21	A"	1459	1424	2.13
22	A"	1352	1319	0.04
23	A"	1335	1303	0.31
24	A"	1185	1157	0.26
25	A"	1073	1047	7.44
26	A"	923	901	3.62
27	A"	818	798	0.02
28	A"	614	600	0.15
29	A"	398	389	0.00
30	A"	368	359	3.68

Atom	x (Å)	y (Å)	z (Å)
F1	0.077	2.365	0.000
C2	0.037	0.928	0.000
C3	-0.013	0.262	1.250
C4	-0.013	0.262	-1.250
C5	-0.013	-1.167	1.239
C6	-0.013	-1.167	-1.239
C7	-0.074	-1.879	0.000
H8	0.025	0.836	2.178
H9	0.025	0.836	-2.178
H10	-0.062	-1.710	2.187
H11	-0.062	-1.710	-2.187
H12	-0.071	-2.972	0.000

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.4373	2.4478	2.4478	3.7441	3.7441	4.2463	2.6618	2.6618	4.6265	4.6265	5.3387
C2	1.4373		1.4174	1.4174	2.4347	2.4347	2.8091	2.1801	2.1801	3.4279	3.4279	3.9014
C3	2.4478	1.4174		2.5006	1.4297	2.8705	2.4802	1.0913	3.4762	2.1839	3.9629	3.4680
C4	2.4478	1.4174	2.5006		2.8705	1.4297	2.4802	3.4762	1.0913	3.9629	2.1839	3.4680
C5	3.7441	2.4347	1.4297	2.8705		2.4778	1.4300	2.2126	3.9610	1.0932	3.4686	2.1897
C6	3.7441	2.4347	2.8705	1.4297	2.4778		1.4300	3.9610	2.2126	3.4686	1.0932	2.1897
C7	4.2463	2.8091	2.4802	2.4802	1.4300	1.4300		3.4817	3.4817	2.1932	2.1932	1.0931
H8	2.6618	2.1801	1.0913	3.4762	2.2126	3.9610	3.4817		4.3563	2.5471	5.0536	4.3876
H9	2.6618	2.1801	3.4762	1.0913	3.9610	2.2126	3.4817	4.3563		5.0536	2.5471	4.3876
H10	4.6265	3.4279	2.1839	3.9629	1.0932	3.4686	2.1932	2.5471	5.0536		4.3732	2.5246
H11	4.6265	3.4279	3.9629	2.1839	3.4686	1.0932	2.1932	5.0536	2.5471	4.3732		2.5246
H12	5.3387	3.9014	3.4680	3.4680	2.1897	2.1897	1.0931	4.3876	4.3876	2.5246	2.5246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.064	F1	C2	C4	118.064
C2	C3	C5	117.555	C2	C3	H8	120.133
C2	C4	C6	117.555	C2	C4	H9	120.133
C3	C2	C4	123.800	C3	C5	C7	120.296
C3	C5	H10	119.307	C4	C6	C7	120.296
C4	C6	H11	119.307	C5	C3	H8	122.145
C5	C7	C6	120.079	C5	C7	H12	119.831
C6	C4	H9	122.145	C6	C7	H12	119.831
C7	C5	H10	120.144	C7	C6	H11	120.144

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)