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	hartrees
Energy at 0K	-429.523315
Energy at 298.15K	-429.527876
Nuclear repulsion energy	346.806030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3077	1.32
2	A₁	3253	3065	7.24
3	A₁	1690	1592	24.33
4	A₁	1581	1490	178.10
5	A₁	1471	1386	2.68
6	A₁	1332	1255	91.29
7	A₁	1208	1139	0.83
8	A₁	1067	1005	6.42
9	A₁	786	741	29.54
10	A₁	583	549	3.51
11	A₁	280	264	0.35
12	A₂	893	841	0.00
13	A₂	827	779	0.00
14	A₂	565	532	0.00
15	A₂	475	448	0.00
16	A₂	188	177	0.00
17	B₁	888	837	6.27
18	B₁	764	720	85.55
19	B₁	453	427	1.25
20	B₁	296	279	0.02
21	B₂	3261	3073	1.61
22	B₂	3240	3053	1.15
23	B₂	1689	1591	7.32
24	B₂	1518	1430	12.67
25	B₂	1310	1234	4.92
26	B₂	1252	1180	29.83
27	B₂	1144	1078	21.40
28	B₂	869	819	14.65
29	B₂	553	521	3.35
30	B₂	441	415	0.32

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	120.432	C1	C2	F8	119.116
C1	C6	C5	119.455	C1	C6	H12	118.634
C2	C1	C6	120.432	C2	C1	F7	119.116
C2	C3	C4	119.455	C2	C3	H9	118.634
C3	C2	F8	120.452	C3	C4	C5	120.113
C3	C4	H10	119.581	C4	C3	H9	121.911
C4	C5	C6	120.113	C4	C5	H11	120.307
C5	C4	H10	120.307	C5	C6	H12	121.911
C6	C1	F7	120.452	C6	C5	H11	119.581

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)