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	hartrees
Energy at 0K	-429.555162
Energy at 298.15K	-429.559736
Nuclear repulsion energy	346.974078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3083	1.81
2	A₁	3286	3070	7.51
3	A₁	1691	1580	23.80
4	A₁	1583	1479	172.96
5	A₁	1472	1376	3.45
6	A₁	1332	1245	95.39
7	A₁	1201	1122	0.82
8	A₁	1065	995	5.50
9	A₁	785	734	28.57
10	A₁	582	544	3.39
11	A₁	280	261	0.35
12	A₂	912	852	0.00
13	A₂	834	779	0.00
14	A₂	561	525	0.00
15	A₂	459	428	0.00
16	A₂	187	175	0.00
17	B₁	901	842	5.33
18	B₁	767	716	77.59
19	B₁	451	422	0.90
20	B₁	295	276	0.05
21	B₂	3295	3079	2.32
22	B₂	3274	3059	1.08
23	B₂	1692	1581	7.61
24	B₂	1520	1420	11.03
25	B₂	1310	1224	6.68
26	B₂	1249	1167	29.84
27	B₂	1141	1066	20.10
28	B₂	868	811	14.25
29	B₂	553	516	3.37
30	B₂	440	411	0.34

Atom	y (Å)	z (Å)
C1	0.695	-0.534
C2	-0.695	-0.534
C3	-1.396	0.662
C4	-0.697	1.867
C5	0.697	1.867
C6	1.396	0.662
F7	1.351	-1.710
F8	-1.351	-1.710
H9	-2.475	0.628
H10	-1.242	2.799
H11	1.242	2.799
H12	2.475	0.628

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3892	2.4080	2.7746	2.4004	1.3859	1.3473	2.3596	3.3752	3.8542	3.3771	2.1253
C2	1.3892		1.3859	2.4004	2.7746	2.4080	2.3596	1.3473	2.1253	3.3771	3.8542	3.3752
C3	2.4080	1.3859		1.3930	2.4150	2.7916	3.6290	2.3725	1.0793	2.1426	3.3948	3.8705
C4	2.7746	2.4004	1.3930		1.3942	2.4150	4.1218	3.6363	2.1667	1.0796	2.1514	3.4051
C5	2.4004	2.7746	2.4150	1.3942		1.3930	3.6363	4.1218	3.4051	2.1514	1.0796	2.1667
C6	1.3859	2.4080	2.7916	2.4150	1.3930		2.3725	3.6290	3.8705	3.3948	2.1426	1.0793
F7	1.3473	2.3596	3.6290	4.1218	3.6363	2.3725		2.7013	4.4831	5.2013	4.5105	2.5941
F8	2.3596	1.3473	2.3725	3.6363	4.1218	3.6290	2.7013		2.5941	4.5105	5.2013	4.4831
H9	3.3752	2.1253	1.0793	2.1667	3.4051	3.8705	4.4831	2.5941		2.4967	4.3041	4.9491
H10	3.8542	3.3771	2.1426	1.0796	2.1514	3.3948	5.2013	4.5105	2.4967		2.4837	4.3041
H11	3.3771	3.8542	3.3948	2.1514	1.0796	2.1426	4.5105	5.2013	4.3041	2.4837		2.4967
H12	2.1253	3.3752	3.8705	3.4051	2.1667	1.0793	2.5941	4.4831	4.9491	4.3041	2.4967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.397	C1	C2	F8	119.141
C1	C6	C5	119.496	C1	C6	H12	118.588
C2	C1	C6	120.397	C2	C1	F7	119.141
C2	C3	C4	119.496	C2	C3	H9	118.588
C3	C2	F8	120.462	C3	C4	C5	120.106
C3	C4	H10	119.589	C4	C3	H9	121.915
C4	C5	C6	120.106	C4	C5	H11	120.305
C5	C4	H10	120.305	C5	C6	H12	121.915
C6	C1	F7	120.462	C6	C5	H11	119.589

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)