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	hartrees
Energy at 0K	-429.604824
Energy at 298.15K	-429.609376
HF Energy	-428.420310
Nuclear repulsion energy	347.040172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3317	3090	1.98
2	A₁	3302	3076	7.56
3	A₁	1711	1594	28.33
4	A₁	1600	1490	177.72
5	A₁	1339	1248	110.28
6	A₁	1325	1235	11.90
7	A₁	1200	1118	0.29
8	A₁	1072	999	7.71
9	A₁	792	737	35.94
10	A₁	588	548	4.51
11	A₁	289	269	0.36
12	A₂	915	853	0.00
13	A₂	836	778	0.00
14	A₂	553	515	0.00
15	A₂	407	379	0.00
16	A₂	183	171	0.00
17	B₁	915	852	5.02
18	B₁	771	718	100.37
19	B₁	450	419	2.48
20	B₁	293	273	0.00
21	B₂	3312	3085	2.49
22	B₂	3290	3065	1.19
23	B₂	1711	1594	10.23
24	B₂	1536	1431	11.61
25	B₂	1325	1234	4.52
26	B₂	1253	1167	39.70
27	B₂	1148	1069	24.48
28	B₂	871	812	15.59
29	B₂	557	519	4.14
30	B₂	446	415	0.26

Atom	y (Å)	z (Å)
C1	0.697	-0.536
C2	-0.697	-0.536
C3	-1.402	0.661
C4	-0.698	1.868
C5	0.698	1.868
C6	1.402	0.661
F7	1.351	-1.710
F8	-1.351	-1.710
H9	-2.481	0.630
H10	-1.242	2.801
H11	1.242	2.801
H12	2.481	0.630

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3939	2.4158	2.7794	2.4039	1.3886	1.3444	2.3609	3.3847	3.8585	3.3804	2.1310
C2	1.3939		1.3886	2.4039	2.7794	2.4158	2.3609	1.3444	2.1310	3.3804	3.8585	3.3847
C3	2.4158	1.3886		1.3976	2.4224	2.8037	3.6332	2.3714	1.0791	2.1459	3.4010	3.8826
C4	2.7794	2.4039	1.3976		1.3963	2.4224	4.1236	3.6375	2.1701	1.0792	2.1521	3.4112
C5	2.4039	2.7794	2.4224	1.3963		1.3976	3.6375	4.1236	3.4112	2.1521	1.0792	2.1701
C6	1.3886	2.4158	2.8037	2.4224	1.3976		2.3714	3.6332	3.8826	3.4010	2.1459	1.0791
F7	1.3444	2.3609	3.6332	4.1236	3.6375	2.3714		2.7022	4.4900	5.2028	4.5121	2.5989
F8	2.3609	1.3444	2.3714	3.6375	4.1236	3.6332	2.7022		2.5989	4.5121	5.2028	4.4900
H9	3.3847	2.1310	1.0791	2.1701	3.4112	3.8826	4.4900	2.5989		2.4990	4.3086	4.9611
H10	3.8585	3.3804	2.1459	1.0792	2.1521	3.4010	5.2028	4.5121	2.4990		2.4830	4.3086
H11	3.3804	3.8585	3.4010	2.1521	1.0792	2.1459	4.5121	5.2028	4.3086	2.4830		2.4990
H12	2.1310	3.3847	3.8826	3.4112	2.1701	1.0791	2.5989	4.4900	4.9611	4.3086	2.4990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.507	C1	C2	F8	119.116
C1	C6	C5	119.259	C1	C6	H12	118.898
C2	C1	C6	120.507	C2	C1	F7	119.116
C2	C3	C4	119.259	C2	C3	H9	118.898
C3	C2	F8	120.377	C3	C4	C5	120.234
C3	C4	H10	119.535	C4	C3	H9	121.843
C4	C5	C6	120.234	C4	C5	H11	120.232
C5	C4	H10	120.232	C5	C6	H12	121.843
C6	C1	F7	120.377	C6	C5	H11	119.535

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)