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	hartrees
Energy at 0K	-428.421815
Energy at 298.15K	-428.427042
Nuclear repulsion energy	350.156382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3388	3064	2.18
2	A₁	3373	3050	10.31
3	A₁	1806	1633	42.72
4	A₁	1687	1526	213.16
5	A₁	1411	1276	143.87
6	A₁	1322	1195	2.94
7	A₁	1207	1092	0.18
8	A₁	1120	1013	9.66
9	A₁	836	756	39.83
10	A₁	625	565	5.50
11	A₁	310	280	0.44
12	A₂	1111	1004	0.00
13	A₂	970	877	0.00
14	A₂	783	708	0.00
15	A₂	614	555	0.00
16	A₂	210	189	0.00
17	B₁	1071	968	7.42
18	B₁	854	772	115.20
19	B₁	510	461	3.73
20	B₁	324	293	0.01
21	B₂	3383	3059	4.81
22	B₂	3359	3037	1.40
23	B₂	1804	1632	11.78
24	B₂	1617	1462	16.62
25	B₂	1403	1269	7.47
26	B₂	1330	1203	49.47
27	B₂	1208	1092	19.70
28	B₂	923	834	19.67
29	B₂	594	537	5.19
30	B₂	476	430	0.22

Atom	y (Å)	z (Å)
C1	0.684	-0.530
C2	-0.684	-0.530
C3	-1.386	0.650
C4	-0.693	1.847
C5	0.693	1.847
C6	1.386	0.650
F7	1.333	-1.687
F8	-1.333	-1.687
H9	-2.458	0.616
H10	-1.235	2.773
H11	1.235	2.773
H12	2.458	0.616

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3686	2.3832	2.7471	2.3770	1.3731	1.3266	2.3255	3.3447	3.8198	3.3483	2.1116
C2	1.3686		1.3731	2.3770	2.7471	2.3832	2.3255	1.3266	2.1116	3.3483	3.8198	3.3447
C3	2.3832	1.3731		1.3833	2.3989	2.7724	3.5856	2.3380	1.0723	2.1281	3.3726	3.8443
C4	2.7471	2.3770	1.3833		1.3856	2.3989	4.0736	3.5917	2.1521	1.0726	2.1382	3.3828
C5	2.3770	2.7471	2.3989	1.3856		1.3833	3.5917	4.0736	3.3828	2.1382	1.0726	2.1521
C6	1.3731	2.3832	2.7724	2.3989	1.3833		2.3380	3.5856	3.8443	3.3726	2.1281	1.0723
F7	1.3266	2.3255	3.5856	4.0736	3.5917	2.3380		2.6656	4.4356	5.1462	4.4611	2.5632
F8	2.3255	1.3266	2.3380	3.5917	4.0736	3.5856	2.6656		2.5632	4.4611	5.1462	4.4356
H9	3.3447	2.1116	1.0723	2.1521	3.3828	3.8443	4.4356	2.5632		2.4797	4.2764	4.9160
H10	3.8198	3.3483	2.1281	1.0726	2.1382	3.3726	5.1462	4.4611	2.4797		2.4692	4.2764
H11	3.3483	3.8198	3.3726	2.1382	1.0726	2.1281	4.4611	5.1462	4.2764	2.4692		2.4797
H12	2.1116	3.3447	3.8443	3.3828	2.1521	1.0723	2.5632	4.4356	4.9160	4.2764	2.4797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.743	C1	C2	F8	119.265
C1	C6	C5	119.173	C1	C6	H12	118.913
C2	C1	C6	120.743	C2	C1	F7	119.265
C2	C3	C4	119.173	C2	C3	H9	118.913
C3	C2	F8	119.992	C3	C4	C5	120.084
C3	C4	H10	119.580	C4	C3	H9	121.915
C4	C5	C6	120.084	C4	C5	H11	120.336
C5	C4	H10	120.336	C5	C6	H12	121.915
C6	C1	F7	119.992	C6	C5	H11	119.580

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: HF/6-31+G**

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	C	0.115
2	C	0.115
3	C	0.099
4	C	-0.174
5	C	-0.174
6	C	0.099
7	F	-0.419
8	F	-0.419
9	H	0.198
10	H	0.181
11	H	0.181
12	H	0.198

<r²>	227.314
(<r²>)^1/2	15.077

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)