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	hartrees
Energy at 0K	-430.100399
Energy at 298.15K	-430.105275
Nuclear repulsion energy	349.240931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3103	0.98
2	A₁	3249	3084	5.01
3	A₁	1672	1588	31.85
4	A₁	1566	1487	188.54
5	A₁	1481	1406	5.61
6	A₁	1322	1255	104.46
7	A₁	1191	1131	1.03
8	A₁	1057	1003	6.34
9	A₁	783	743	29.24
10	A₁	580	551	3.25
11	A₁	287	272	0.25
12	A₂	984	934	0.00
13	A₂	874	830	0.00
14	A₂	712	676	0.00
15	A₂	578	548	0.00
16	A₂	191	182	0.00
17	B₁	962	914	5.91
18	B₁	788	748	81.14
19	B₁	473	450	3.15
20	B₁	302	287	0.00
21	B₂	3261	3096	0.71
22	B₂	3231	3067	0.77
23	B₂	1672	1588	9.58
24	B₂	1499	1423	12.54
25	B₂	1295	1230	8.76
26	B₂	1243	1180	31.48
27	B₂	1134	1077	19.37
28	B₂	872	828	16.83
29	B₂	556	527	3.04
30	B₂	443	420	0.17

Atom	y (Å)	z (Å)
C1	0.691	-0.532
C2	-0.691	-0.532
C3	-1.387	0.656
C4	-0.693	1.854
C5	0.693	1.854
C6	1.387	0.656
F7	1.345	-1.697
F8	-1.345	-1.697
H9	-2.462	0.623
H10	-1.235	2.782
H11	1.235	2.782
H12	2.462	0.623

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3814	2.3938	2.7586	2.3864	1.3775	1.3357	2.3449	3.3574	3.8336	3.3591	2.1146
C2	1.3814		1.3775	2.3864	2.7586	2.3938	2.3449	1.3357	2.1146	3.3591	3.8336	3.3574
C3	2.3938	1.3775		1.3846	2.4006	2.7746	3.6055	2.3535	1.0748	2.1316	3.3763	3.8490
C4	2.7586	2.3864	1.3846		1.3861	2.4006	4.0942	3.6104	2.1545	1.0751	2.1403	3.3861
C5	2.3864	2.7586	2.4006	1.3861		1.3846	3.6104	4.0942	3.3861	2.1403	1.0751	2.1545
C6	1.3775	2.3938	2.7746	2.4006	1.3846		2.3535	3.6055	3.8490	3.3763	2.1316	1.0748
F7	1.3357	2.3449	3.6055	4.0942	3.6104	2.3535		2.6890	4.4576	5.1692	4.4806	2.5753
F8	2.3449	1.3357	2.3535	3.6104	4.0942	3.6055	2.6890		2.5753	4.4806	5.1692	4.4576
H9	3.3574	2.1146	1.0748	2.1545	3.3861	3.8490	4.4576	2.5753		2.4827	4.2812	4.9231
H10	3.8336	3.3591	2.1316	1.0751	2.1403	3.3763	5.1692	4.4806	2.4827		2.4710	4.2812
H11	3.3591	3.8336	3.3763	2.1403	1.0751	2.1316	4.4806	5.1692	4.2812	2.4710		2.4827
H12	2.1146	3.3574	3.8490	3.3861	2.1545	1.0748	2.5753	4.4576	4.9231	4.2812	2.4827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.378	C1	C2	F8	119.308
C1	C6	C5	119.530	C1	C6	H12	118.638
C2	C1	C6	120.378	C2	C1	F7	119.308
C2	C3	C4	119.530	C2	C3	H9	118.638
C3	C2	F8	120.314	C3	C4	C5	120.092
C3	C4	H10	119.607	C4	C3	H9	121.831
C4	C5	C6	120.092	C4	C5	H11	120.302
C5	C4	H10	120.302	C5	C6	H12	121.831
C6	C1	F7	120.314	C6	C5	H11	119.607

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)