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	hartrees
Energy at 0K	-330.554405
Energy at 298.15K	-330.559707
HF Energy	-329.551312
Nuclear repulsion energy	267.762475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3218	3072
2	A₁	3204	3060
3	A₁	3182	3038
4	A₁	1659	1584
5	A₁	1541	1472
6	A₁	1270	1213
7	A₁	1192	1138
8	A₁	1044	997
9	A₁	1016	970
10	A₁	820	783
11	A₁	518	495
12	A₂	886	846
13	A₂	804	768
14	A₂	404	386
15	B₁	882	842
16	B₁	839	801
17	B₁	735	702
18	B₁	528	504
19	B₁	479	457
20	B₁	233	223
21	B₂	3217	3071
22	B₂	3191	3047
23	B₂	1659	1584
24	B₂	1497	1429
25	B₂	1377	1314
26	B₂	1330	1270
27	B₂	1197	1143
28	B₂	1099	1049
29	B₂	621	593
30	B₂	398	380

Atom	y (Å)	z (Å)
F1	0.000	2.294
C2	0.000	0.931
C3	1.223	0.261
C4	-1.223	0.261
C5	1.214	-1.140
C6	-1.214	-1.140
C7	0.000	-1.842
H8	2.151	0.832
H9	-2.151	0.832
H10	2.160	-1.682
H11	-2.160	-1.682
H12	0.000	-2.933

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3625	2.3722	2.3722	3.6419	3.6419	4.1363	2.6003	2.6003	4.5247	4.5247	5.2264
C2	1.3625		1.3947	1.3947	2.4006	2.4006	2.7738	2.1530	2.1530	3.3904	3.3904	3.8639
C3	2.3722	1.3947		2.4465	1.4014	2.8110	2.4336	1.0891	3.4219	2.1574	3.9015	3.4202
C4	2.3722	1.3947	2.4465		2.8110	1.4014	2.4336	3.4219	1.0891	3.9015	2.1574	3.4202
C5	3.6419	2.4006	1.4014	2.8110		2.4270	1.4022	2.1836	3.8997	1.0906	3.4166	2.1647
C6	3.6419	2.4006	2.8110	1.4014	2.4270		1.4022	3.8997	2.1836	3.4166	1.0906	2.1647
C7	4.1363	2.7738	2.4336	2.4336	1.4022	1.4022		3.4322	3.4322	2.1657	2.1657	1.0901
H8	2.6003	2.1530	1.0891	3.4219	2.1836	3.8997	3.4322		4.3014	2.5144	4.9903	4.3359
H9	2.6003	2.1530	3.4219	1.0891	3.8997	2.1836	3.4322	4.3014		4.9903	2.5144	4.3359
H10	4.5247	3.3904	2.1574	3.9015	1.0906	3.4166	2.1657	2.5144	4.9903		4.3196	2.4957
H11	4.5247	3.3904	3.9015	2.1574	3.4166	1.0906	2.1657	4.9903	2.5144	4.3196		2.4957
H12	5.2264	3.8639	3.4202	3.4202	2.1647	2.1647	1.0901	4.3359	4.3359	2.4957	2.4957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.709	F1	C2	C4	118.709
C2	C3	C5	118.311	C2	C3	H8	119.676
C2	C4	C6	118.311	C2	C4	H9	119.676
C3	C2	C4	122.583	C3	C5	C7	120.463
C3	C5	H10	119.410	C4	C6	C7	120.463
C4	C6	H11	119.410	C5	C3	H8	122.013
C5	C7	C6	119.869	C5	C7	H12	120.065
C6	C4	H9	122.013	C6	C7	H12	120.065
C7	C5	H10	120.127	C7	C6	H11	120.127

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)