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	hartrees
Energy at 0K	-429.981541
Energy at 298.15K	-429.986328
Nuclear repulsion energy	347.917203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3087	1.45
2	A₁	3236	3073	4.72
3	A₁	1660	1576	31.14
4	A₁	1554	1475	189.67
5	A₁	1466	1392	4.90
6	A₁	1313	1247	105.25
7	A₁	1173	1113	0.87
8	A₁	1048	995	6.28
9	A₁	776	737	28.40
10	A₁	575	546	3.20
11	A₁	285	271	0.26
12	A₂	957	908	0.00
13	A₂	850	807	0.00
14	A₂	680	645	0.00
15	A₂	564	535	0.00
16	A₂	189	179	0.00
17	B₁	936	889	5.46
18	B₁	769	731	81.43
19	B₁	464	440	3.06
20	B₁	297	282	0.01
21	B₂	3245	3081	0.87
22	B₂	3224	3062	0.73
23	B₂	1660	1576	9.86
24	B₂	1490	1414	12.37
25	B₂	1289	1224	8.72
26	B₂	1233	1171	32.74
27	B₂	1123	1066	18.62
28	B₂	865	822	16.28
29	B₂	551	523	3.03
30	B₂	439	417	0.16

Atom	y (Å)	z (Å)
C1	0.694	-0.536
C2	-0.694	-0.536
C3	-1.394	0.658
C4	-0.696	1.862
C5	0.696	1.862
C6	1.394	0.658
F7	1.350	-1.703
F8	-1.350	-1.703
H9	-2.473	0.626
H10	-1.241	2.794
H11	1.241	2.794
H12	2.473	0.626

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3881	2.4054	2.7716	2.3977	1.3843	1.3384	2.3533	3.3737	3.8514	3.3746	2.1249
C2	1.3881		1.3843	2.3977	2.7716	2.4054	2.3533	1.3384	2.1249	3.3746	3.8514	3.3737
C3	2.4054	1.3843		1.3910	2.4117	2.7878	3.6197	2.3616	1.0799	2.1411	3.3918	3.8673
C4	2.7716	2.3977	1.3910		1.3923	2.4117	4.1099	3.6239	2.1647	1.0799	2.1499	3.4019
C5	2.3977	2.7716	2.4117	1.3923		1.3910	3.6239	4.1099	3.4019	2.1499	1.0799	2.1647
C6	1.3843	2.4054	2.7878	2.4117	1.3910		2.3616	3.6197	3.8673	3.3918	2.1411	1.0799
F7	1.3384	2.3533	3.6197	4.1099	3.6239	2.3616		2.6993	4.4763	5.1897	4.4981	2.5855
F8	2.3533	1.3384	2.3616	3.6239	4.1099	3.6197	2.6993		2.5855	4.4981	5.1897	4.4763
H9	3.3737	2.1249	1.0799	2.1647	3.4019	3.8673	4.4763	2.5855		2.4939	4.3009	4.9466
H10	3.8514	3.3746	2.1411	1.0799	2.1499	3.3918	5.1897	4.4981	2.4939		2.4823	4.3009
H11	3.3746	3.8514	3.3918	2.1499	1.0799	2.1411	4.4981	5.1897	4.3009	2.4823		2.4939
H12	2.1249	3.3737	3.8673	3.4019	2.1647	1.0799	2.5855	4.4763	4.9466	4.3009	2.4939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.369	C1	C2	F8	119.332
C1	C6	C5	119.525	C1	C6	H12	118.640
C2	C1	C6	120.369	C2	C1	F7	119.332
C2	C3	C4	119.525	C2	C3	H9	118.640
C3	C2	F8	120.300	C3	C4	C5	120.106
C3	C4	H10	119.585	C4	C3	H9	121.834
C4	C5	C6	120.106	C4	C5	H11	120.309
C5	C4	H10	120.309	C5	C6	H12	121.834
C6	C1	F7	120.300	C6	C5	H11	119.585

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2/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/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)