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	hartrees
Energy at 0K	-430.459482
Energy at 298.15K	-430.465198
Nuclear repulsion energy	350.415045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3405	3208	3.27
2	A₁	3389	3193	14.48
3	A₁	1816	1711	34.92
4	A₁	1701	1603	210.81
5	A₁	1425	1343	122.25
6	A₁	1325	1248	4.09
7	A₁	1212	1142	0.96
8	A₁	1126	1061	7.44
9	A₁	841	793	36.44
10	A₁	627	591	4.81
11	A₁	307	290	0.47
12	A₂	1105	1041	0.00
13	A₂	967	911	0.00
14	A₂	765	721	0.00
15	A₂	612	577	0.00
16	A₂	211	199	0.00
17	B₁	1066	1005	8.42
18	B₁	857	808	93.49
19	B₁	512	483	0.97
20	B₁	328	309	0.34
21	B₂	3400	3204	8.89
22	B₂	3374	3179	1.82
23	B₂	1818	1713	8.29
24	B₂	1629	1535	16.70
25	B₂	1412	1331	9.90
26	B₂	1343	1266	42.59
27	B₂	1214	1144	16.28
28	B₂	925	872	18.07
29	B₂	595	561	5.07
30	B₂	476	449	0.38

Atom	y (Å)	z (Å)
C1	0.695	-0.534
C2	-0.695	-0.534
C3	-1.397	0.661
C4	-0.697	1.867
C5	0.697	1.867
C6	1.397	0.661
F7	1.350	-1.711
F8	-1.350	-1.711
H9	-2.481	0.627
H10	-1.245	2.804
H11	1.245	2.804
H12	2.481	0.627

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3890	2.4084	2.7748	2.4004	1.3860	1.3477	2.3595	3.3810	3.8601	3.3825	2.1306
C2	1.3890		1.3860	2.4004	2.7748	2.4084	2.3595	1.3477	2.1306	3.3825	3.8601	3.3810
C3	2.4084	1.3860		1.3935	2.4161	2.7931	3.6295	2.3729	1.0849	2.1477	3.4012	3.8776
C4	2.7748	2.4004	1.3935		1.3949	2.4161	4.1223	3.6369	2.1719	1.0853	2.1567	3.4115
C5	2.4004	2.7748	2.4161	1.3949		1.3935	3.6369	4.1223	3.4115	2.1567	1.0853	2.1719
C6	1.3860	2.4084	2.7931	2.4161	1.3935		2.3729	3.6295	3.8776	3.4012	2.1477	1.0849
F7	1.3477	2.3595	3.6295	4.1223	3.6369	2.3729		2.7005	4.4884	5.2076	4.5160	2.5974
F8	2.3595	1.3477	2.3729	3.6369	4.1223	3.6295	2.7005		2.5974	4.5160	5.2076	4.4884
H9	3.3810	2.1306	1.0849	2.1719	3.4115	3.8776	4.4884	2.5974		2.5028	4.3151	4.9619
H10	3.8601	3.3825	2.1477	1.0853	2.1567	3.4012	5.2076	4.5160	2.5028		2.4902	4.3151
H11	3.3825	3.8601	3.4012	2.1567	1.0853	2.1477	4.5160	5.2076	4.3151	2.4902		2.5028
H12	2.1306	3.3810	3.8776	3.4115	2.1719	1.0849	2.5974	4.4884	4.9619	4.3151	2.5028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.685	C1	C2	F8	119.209
C1	C6	C5	119.259	C1	C6	H12	118.822
C2	C1	C6	120.685	C2	C1	F7	119.209
C2	C3	C4	119.259	C2	C3	H9	118.822
C3	C2	F8	120.106	C3	C4	C5	120.056
C3	C4	H10	119.611	C4	C3	H9	121.918
C4	C5	C6	120.056	C4	C5	H11	120.333
C5	C4	H10	120.333	C5	C6	H12	121.918
C6	C1	F7	120.106	C6	C5	H11	119.611

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)