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	hartrees
Energy at 0K	-329.574165
Energy at 298.15K	-329.579960
HF Energy	-329.574165
Nuclear repulsion energy	268.999108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3102	0.08
2	A₁	3258	3088	8.82
3	A₁	3235	3066	0.01
4	A₁	1683	1595	51.98
5	A₁	1575	1493	65.57
6	A₁	1324	1255	43.92
7	A₁	1237	1172	4.30
8	A₁	1069	1013	2.38
9	A₁	1052	997	1.50
10	A₁	850	806	15.58
11	A₁	549	520	3.17
12	A₂	1047	993	0.00
13	A₂	890	844	0.00
14	A₂	447	424	0.00
15	B₁	1071	1015	2.76
16	B₁	985	934	20.95
17	B₁	816	773	69.75
18	B₁	745	706	53.32
19	B₁	538	510	11.02
20	B₁	252	238	0.10
21	B₂	3269	3098	1.41
22	B₂	3244	3075	5.54
23	B₂	1662	1575	12.43
24	B₂	1525	1445	3.37
25	B₂	1391	1319	0.44
26	B₂	1330	1260	0.04
27	B₂	1239	1174	0.74
28	B₂	1125	1066	8.66
29	B₂	660	626	0.11
30	B₂	401	380	1.98

Atom	y (Å)	z (Å)
F1	0.000	2.300
C2	0.000	0.934
C3	1.207	0.252
C4	-1.207	0.252
C5	1.204	-1.139
C6	-1.204	-1.139
C7	0.000	-1.838
H8	2.129	0.814
H9	-2.129	0.814
H10	2.144	-1.676
H11	-2.144	-1.676
H12	0.000	-2.920

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3665	2.3770	2.3770	3.6438	3.6438	4.1386	2.5965	2.5965	4.5177	4.5177	5.2209
C2	1.3665		1.3857	1.3857	2.3968	2.3968	2.7721	2.1324	2.1324	3.3777	3.3777	3.8544
C3	2.3770	1.3857		2.4131	1.3912	2.7829	2.4138	1.0801	3.3826	2.1444	3.8658	3.3946
C4	2.3770	1.3857	2.4131		2.7829	1.3912	2.4138	3.3826	1.0801	3.8658	2.1444	3.3946
C5	3.6438	2.3968	1.3912	2.7829		2.4072	1.3920	2.1611	3.8627	1.0829	3.3902	2.1501
C6	3.6438	2.3968	2.7829	1.3912	2.4072		1.3920	3.8627	2.1611	3.3902	1.0829	2.1501
C7	4.1386	2.7721	2.4138	2.4138	1.3920	1.3920		3.4011	3.4011	2.1498	2.1498	1.0823
H8	2.5965	2.1324	1.0801	3.3826	2.1611	3.8627	3.4011		4.2581	2.4905	4.9456	4.2989
H9	2.5965	2.1324	3.3826	1.0801	3.8627	2.1611	3.4011	4.2581		4.9456	2.4905	4.2989
H10	4.5177	3.3777	2.1444	3.8658	1.0829	3.3902	2.1498	2.4905	4.9456		4.2874	2.4786
H11	4.5177	3.3777	3.8658	2.1444	3.3902	1.0829	2.1498	4.9456	2.4905	4.2874		2.4786
H12	5.2209	3.8544	3.3946	3.3946	2.1501	2.1501	1.0823	4.2989	4.2989	2.4786	2.4786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	119.458	F1	C2	C4	119.458
C2	C3	C5	119.337	C2	C3	H8	119.205
C2	C4	C6	119.337	C2	C4	H9	119.205
C3	C2	C4	121.083	C3	C5	C7	120.281
C3	C5	H10	119.638	C4	C6	C7	120.281
C4	C6	H11	119.638	C5	C3	H8	121.458
C5	C7	C6	119.682	C5	C7	H12	120.159
C6	C4	H9	121.458	C6	C7	H12	120.159
C7	C5	H10	120.081	C7	C6	H11	120.081

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: wB97X-D/3-21G*

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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Number	Element	Mulliken
1	F	-0.308
2	C	0.306
3	C	-0.258
4	C	-0.258
5	C	-0.219
6	C	-0.219
7	C	-0.223
8	H	0.246
9	H	0.246
10	H	0.231
11	H	0.231
12	H	0.225

<r²>	182.185
(<r²>)^1/2	13.498

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)