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	hartrees
Energy at 0K	-330.101319
Energy at 298.15K	-330.106585
HF Energy	-329.484877
Nuclear repulsion energy	262.621963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3116	2.32
2	A₁	3208	3097	23.53
3	A₁	3177	3067	0.04
4	A₁	1597	1541	34.37
5	A₁	1498	1446	53.06
6	A₁	1207	1165	9.89
7	A₁	1167	1126	55.27
8	A₁	1029	993	5.67
9	A₁	997	962	2.87
10	A₁	778	751	25.63
11	A₁	504	486	6.04
12	A₂	860	830	0.00
13	A₂	788	761	0.00
14	A₂	404	390	0.00
15	B₁	877	846	0.10
16	B₁	833	804	13.75
17	B₁	735	709	124.59
18	B₁	623	601	8.66
19	B₁	470	454	13.02
20	B₁	225	217	0.22
21	B₂	3223	3111	12.38
22	B₂	3192	3081	12.87
23	B₂	1612	1556	8.31
24	B₂	1466	1415	2.19
25	B₂	1363	1315	0.08
26	B₂	1340	1294	0.49
27	B₂	1199	1158	0.24
28	B₂	1080	1042	9.59
29	B₂	621	600	0.17
30	B₂	371	358	3.65

Atom	y (Å)	z (Å)
F1	0.000	2.360
C2	0.000	0.928
C3	1.246	0.262
C4	-1.246	0.262
C5	1.236	-1.164
C6	-1.236	-1.164
C7	0.000	-1.877
H8	2.175	0.836
H9	-2.175	0.836
H10	2.184	-1.709
H11	-2.184	-1.709
H12	0.000	-2.971

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.4320	2.4406	2.4406	3.7349	3.7349	4.2375	2.6563	2.6563	4.6184	4.6184	5.3311
C2	1.4320		1.4131	1.4131	2.4303	2.4303	2.8055	2.1772	2.1772	3.4243	3.4243	3.8991
C3	2.4406	1.4131		2.4921	1.4260	2.8624	2.4754	1.0921	3.4691	2.1826	3.9560	3.4644
C4	2.4406	1.4131	2.4921		2.8624	1.4260	2.4754	3.4691	1.0921	3.9560	2.1826	3.4644
C5	3.7349	2.4303	1.4260	2.8624		2.4717	1.4268	2.2096	3.9541	1.0936	3.4631	2.1888
C6	3.7349	2.4303	2.8624	1.4260	2.4717		1.4268	3.9541	2.2096	3.4631	1.0936	2.1888
C7	4.2375	2.8055	2.4754	2.4754	1.4268	1.4268		3.4773	3.4773	2.1906	2.1906	1.0936
H8	2.6563	2.1772	1.0921	3.4691	2.2096	3.9541	3.4773		4.3504	2.5447	5.0477	4.3842
H9	2.6563	2.1772	3.4691	1.0921	3.9541	2.2096	3.4773	4.3504		5.0477	2.5447	4.3842
H10	4.6184	3.4243	2.1826	3.9560	1.0936	3.4631	2.1906	2.5447	5.0477		4.3683	2.5224
H11	4.6184	3.4243	3.9560	2.1826	3.4631	1.0936	2.1906	5.0477	2.5447	4.3683		2.5224
H12	5.3311	3.8991	3.4644	3.4644	2.1888	2.1888	1.0936	4.3842	4.3842	2.5224	2.5224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.144	F1	C2	C4	118.144
C2	C3	C5	117.734	C2	C3	H8	120.151
C2	C4	C6	117.734	C2	C4	H9	120.151
C3	C2	C4	123.712	C3	C5	C7	120.391
C3	C5	H10	119.465	C4	C6	C7	120.391
C4	C6	H11	119.465	C5	C3	H8	122.114
C5	C7	C6	120.038	C5	C7	H12	119.981
C6	C4	H9	122.114	C6	C7	H12	119.981
C7	C5	H10	120.145	C7	C6	H11	120.145

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)