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	hartrees
Energy at 0K	-428.901631
Energy at 298.15K	-428.906480
Nuclear repulsion energy	344.147282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	3115	1.57
2	A₁	3300	3095	10.39
3	A₁	1742	1633	12.47
4	A₁	1622	1521	117.80
5	A₁	1353	1269	63.27
6	A₁	1332	1249	4.26
7	A₁	1247	1169	0.16
8	A₁	1096	1027	6.14
9	A₁	798	748	32.13
10	A₁	607	570	6.23
11	A₁	285	268	0.93
12	A₂	980	919	0.00
13	A₂	888	833	0.00
14	A₂	621	582	0.00
15	A₂	562	527	0.00
16	A₂	195	183	0.00
17	B₁	972	912	7.25
18	B₁	811	760	114.73
19	B₁	474	444	1.20
20	B₁	299	280	0.79
21	B₂	3315	3109	2.68
22	B₂	3284	3080	2.24
23	B₂	1736	1628	3.14
24	B₂	1567	1469	11.14
25	B₂	1363	1278	0.60
26	B₂	1280	1200	26.00
27	B₂	1181	1107	19.58
28	B₂	897	841	14.71
29	B₂	560	526	4.99
30	B₂	449	421	0.93

Atom	y (Å)	z (Å)
C1	0.694	-0.528
C2	-0.694	-0.528
C3	-1.399	0.668
C4	-0.700	1.877
C5	0.700	1.877
C6	1.399	0.668
F7	1.370	-1.728
F8	-1.370	-1.728
H9	-2.479	0.635
H10	-1.245	2.811
H11	1.245	2.811
H12	2.479	0.635

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3883	2.4109	2.7799	2.4052	1.3883	1.3775	2.3879	3.3792	3.8606	3.3834	2.1300
C2	1.3883		1.3883	2.4052	2.7799	2.4109	2.3879	1.3775	2.1300	3.3834	3.8606	3.3792
C3	2.4109	1.3883		1.3971	2.4224	2.7985	3.6621	2.3963	1.0800	2.1480	3.4032	3.8781
C4	2.7799	2.4052	1.3971		1.3994	2.4224	4.1574	3.6673	2.1699	1.0807	2.1569	3.4126
C5	2.4052	2.7799	2.4224	1.3994		1.3971	3.6673	4.1574	3.4126	2.1569	1.0807	2.1699
C6	1.3883	2.4109	2.7985	2.4224	1.3971		2.3963	3.6621	3.8781	3.4032	2.1480	1.0800
F7	1.3775	2.3879	3.6621	4.1574	3.6673	2.3963		2.7403	4.5164	5.2381	4.5403	2.6102
F8	2.3879	1.3775	2.3963	3.6673	4.1574	3.6621	2.7403		2.6102	4.5403	5.2381	4.5164
H9	3.3792	2.1300	1.0800	2.1699	3.4126	3.8781	4.5164	2.6102		2.5010	4.3126	4.9575
H10	3.8606	3.3834	2.1480	1.0807	2.1569	3.4032	5.2381	4.5403	2.5010		2.4899	4.3126
H11	3.3834	3.8606	3.4032	2.1569	1.0807	2.1480	4.5403	5.2381	4.3126	2.4899		2.5010
H12	2.1300	3.3792	3.8781	3.4126	2.1699	1.0800	2.6102	4.5164	4.9575	4.3126	2.5010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.525	C1	C2	F8	119.390
C1	C6	C5	119.429	C1	C6	H12	118.771
C2	C1	C6	120.525	C2	C1	F7	119.390
C2	C3	C4	119.429	C2	C3	H9	118.771
C3	C2	F8	120.085	C3	C4	C5	120.046
C3	C4	H10	119.652	C4	C3	H9	121.800
C4	C5	C6	120.046	C4	C5	H11	120.301
C5	C4	H10	120.301	C5	C6	H12	121.800
C6	C1	F7	120.085	C6	C5	H11	119.652

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)