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	hartrees
Energy at 0K	-429.047203
Energy at 298.15K	-429.051666
Nuclear repulsion energy	340.855559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3074	2.22
2	A₁	3183	3054	12.31
3	A₁	1662	1595	9.87
4	A₁	1556	1493	91.13
5	A₁	1300	1247	48.88
6	A₁	1281	1230	5.14
7	A₁	1205	1156	0.17
8	A₁	1051	1008	5.83
9	A₁	763	732	25.87
10	A₁	582	558	5.33
11	A₁	274	263	0.95
12	A₂	881	845	0.00
13	A₂	812	779	0.00
14	A₂	522	501	0.00
15	A₂	497	477	0.00
16	A₂	183	176	0.00
17	B₁	877	842	5.05
18	B₁	751	721	101.93
19	B₁	438	421	0.84
20	B₁	279	268	0.68
21	B₂	3198	3069	4.87
22	B₂	3167	3039	2.36
23	B₂	1659	1592	2.64
24	B₂	1505	1444	7.79
25	B₂	1311	1258	0.40
26	B₂	1232	1182	21.09
27	B₂	1137	1091	16.92
28	B₂	866	831	12.61
29	B₂	537	516	4.72
30	B₂	431	413	1.04

Atom	y (Å)	z (Å)
C1	0.703	-0.535
C2	-0.703	-0.535
C3	-1.414	0.675
C4	-0.707	1.897
C5	0.707	1.897
C6	1.414	0.675
F7	1.386	-1.745
F8	-1.386	-1.745
H9	-2.505	0.644
H10	-1.257	2.840
H11	1.257	2.840
H12	2.505	0.644

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.4059	2.4386	2.8111	2.4320	1.4040	1.3892	2.4137	3.4180	3.9035	3.4207	2.1538
C2	1.4059		1.4040	2.4320	2.8111	2.4386	2.4137	1.3892	2.1538	3.4207	3.9035	3.4180
C3	2.4386	1.4040		1.4112	2.4472	2.8278	3.7009	2.4208	1.0916	2.1704	3.4384	3.9191
C4	2.8111	2.4320	1.4112		1.4136	2.4472	4.2002	3.7047	2.1915	1.0924	2.1790	3.4475
C5	2.4320	2.8111	2.4472	1.4136		1.4112	3.7047	4.2002	3.4475	2.1790	1.0924	2.1915
C6	1.4040	2.4386	2.8278	2.4472	1.4112		2.4208	3.7009	3.9191	3.4384	2.1704	1.0916
F7	1.3892	2.4137	3.7009	4.2002	3.7047	2.4208		2.7713	4.5658	5.2926	4.5872	2.6386
F8	2.4137	1.3892	2.4208	3.7047	4.2002	3.7009	2.7713		2.6386	4.5872	5.2926	4.5658
H9	3.4180	2.1538	1.0916	2.1915	3.4475	3.9191	4.5658	2.6386		2.5257	4.3565	5.0102
H10	3.9035	3.4207	2.1704	1.0924	2.1790	3.4384	5.2926	4.5872	2.5257		2.5149	4.3565
H11	3.4207	3.9035	3.4384	2.1790	1.0924	2.1704	4.5872	5.2926	4.3565	2.5149		2.5257
H12	2.1538	3.4180	3.9191	3.4475	2.1915	1.0916	2.6386	4.5658	5.0102	4.3565	2.5257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.422	C1	C2	F8	119.433
C1	C6	C5	119.507	C1	C6	H12	118.781
C2	C1	C6	120.422	C2	C1	F7	119.433
C2	C3	C4	119.507	C2	C3	H9	118.781
C3	C2	F8	120.145	C3	C4	C5	120.071
C3	C4	H10	119.659	C4	C3	H9	121.712
C4	C5	C6	120.071	C4	C5	H11	120.270
C5	C4	H10	120.270	C5	C6	H12	121.712
C6	C1	F7	120.145	C6	C5	H11	119.659

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: CCD/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 C6H4F2 (orthodifluorobenzene)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)