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	hartrees
Energy at 0K	-430.116963
Energy at 298.15K	-430.122682
Nuclear repulsion energy	350.326811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3391	3391	3.67
2	A₁	3374	3374	13.19
3	A₁	1814	1814	34.11
4	A₁	1693	1693	216.41
5	A₁	1416	1416	128.37
6	A₁	1316	1316	4.11
7	A₁	1207	1207	0.60
8	A₁	1124	1124	7.74
9	A₁	837	837	41.50
10	A₁	625	625	5.18
11	A₁	307	307	0.50
12	A₂	1091	1091	0.00
13	A₂	969	969	0.00
14	A₂	790	790	0.00
15	A₂	616	616	0.00
16	A₂	211	211	0.00
17	B₁	1059	1059	8.37
18	B₁	853	853	85.99
19	B₁	516	516	1.19
20	B₁	330	330	0.37
21	B₂	3386	3386	8.77
22	B₂	3359	3359	1.54
23	B₂	1816	1816	8.16
24	B₂	1619	1619	17.01
25	B₂	1401	1401	8.86
26	B₂	1334	1334	46.86
27	B₂	1208	1208	18.07
28	B₂	919	919	19.57
29	B₂	594	594	5.23
30	B₂	475	475	0.36

Atom	y (Å)	z (Å)
C1	0.684	-0.532
C2	-0.684	-0.532
C3	-1.385	0.649
C4	-0.693	1.847
C5	0.693	1.847
C6	1.385	0.649
F7	1.331	-1.686
F8	-1.331	-1.686
H9	-2.458	0.614
H10	-1.236	2.775
H11	1.236	2.775
H12	2.458	0.614

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3689	2.3823	2.7486	2.3788	1.3728	1.3236	2.3230	3.3450	3.8235	3.3520	2.1116
C2	1.3689		1.3728	2.3788	2.7486	2.3823	2.3230	1.3236	2.1116	3.3520	3.8235	3.3450
C3	2.3823	1.3728		1.3835	2.3978	2.7692	3.5821	2.3363	1.0743	2.1307	3.3740	3.8431
C4	2.7486	2.3788	1.3835		1.3850	2.3978	4.0721	3.5909	2.1539	1.0749	2.1398	3.3837
C5	2.3788	2.7486	2.3978	1.3850		1.3835	3.5909	4.0721	3.3837	2.1398	1.0749	2.1539
C6	1.3728	2.3823	2.7692	2.3978	1.3835		2.3363	3.5821	3.8431	3.3740	2.1307	1.0743
F7	1.3236	2.3230	3.5821	4.0721	3.5909	2.3363		2.6624	4.4331	5.1470	4.4622	2.5616
F8	2.3230	1.3236	2.3363	3.5909	4.0721	3.5821	2.6624		2.5616	4.4622	5.1470	4.4331
H9	3.3450	2.1116	1.0743	2.1539	3.3837	3.8431	4.4331	2.5616		2.4828	4.2797	4.9167
H10	3.8235	3.3520	2.1307	1.0749	2.1398	3.3740	5.1470	4.4622	2.4828		2.4716	4.2797
H11	3.3520	3.8235	3.3740	2.1398	1.0749	2.1307	4.4622	5.1470	4.2797	2.4716		2.4828
H12	2.1116	3.3450	3.8431	3.3837	2.1539	1.0743	2.5616	4.4331	4.9167	4.2797	2.4828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.665	C1	C2	F8	119.251
C1	C6	C5	119.319	C1	C6	H12	118.777
C2	C1	C6	120.665	C2	C1	F7	119.251
C2	C3	C4	119.319	C2	C3	H9	118.777
C3	C2	F8	120.084	C3	C4	C5	120.016
C3	C4	H10	119.626	C4	C3	H9	121.904
C4	C5	C6	120.016	C4	C5	H11	120.358
C5	C4	H10	120.358	C5	C6	H12	121.904
C6	C1	F7	120.084	C6	C5	H11	119.626

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)