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	hartrees
Energy at 0K	-429.837382
Energy at 298.15K	-429.841946
Nuclear repulsion energy	346.992446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3075	2.74
2	A₁	3233	3062	6.72
3	A₁	1667	1579	28.16
4	A₁	1563	1480	193.20
5	A₁	1461	1383	4.84
6	A₁	1317	1247	102.20
7	A₁	1188	1126	0.83
8	A₁	1054	998	7.64
9	A₁	777	736	32.28
10	A₁	579	548	3.58
11	A₁	288	272	0.35
12	A₂	864	819	0.00
13	A₂	816	773	0.00
14	A₂	600	569	0.00
15	A₂	447	424	0.00
16	A₂	184	174	0.00
17	B₁	875	829	11.01
18	B₁	755	715	98.11
19	B₁	458	434	3.56
20	B₁	295	279	0.03
21	B₂	3241	3070	2.68
22	B₂	3222	3052	0.84
23	B₂	1669	1581	8.18
24	B₂	1498	1419	14.15
25	B₂	1295	1227	4.88
26	B₂	1237	1172	33.71
27	B₂	1127	1068	24.80
28	B₂	861	815	16.61
29	B₂	552	523	3.31
30	B₂	439	416	0.28

Atom	y (Å)	z (Å)
C1	0.696	-0.538
C2	-0.696	-0.538
C3	-1.397	0.660
C4	-0.699	1.868
C5	0.699	1.868
C6	1.397	0.660
F7	1.351	-1.708
F8	-1.351	-1.708
H9	-2.482	0.626
H10	-1.247	2.804
H11	1.247	2.804
H12	2.482	0.626

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3911	2.4115	2.7805	2.4058	1.3882	1.3408	2.3571	3.3837	3.8655	3.3873	2.1318
C2	1.3911		1.3882	2.4058	2.7805	2.4115	2.3571	1.3408	2.1318	3.3873	3.8655	3.3837
C3	2.4115	1.3882		1.3958	2.4192	2.7950	3.6274	2.3680	1.0849	2.1498	3.4044	3.8795
C4	2.7805	2.4058	1.3958		1.3970	2.4192	4.1212	3.6346	2.1733	1.0850	2.1587	3.4143
C5	2.4058	2.7805	2.4192	1.3970		1.3958	3.6346	4.1212	3.4143	2.1587	1.0850	2.1733
C6	1.3882	2.4115	2.7950	2.4192	1.3958		2.3680	3.6274	3.8795	3.4044	2.1498	1.0849
F7	1.3408	2.3571	3.6274	4.1212	3.6346	2.3680		2.7015	4.4870	5.2062	4.5132	2.5931
F8	2.3571	1.3408	2.3680	3.6346	4.1212	3.6274	2.7015		2.5931	4.5132	5.2062	4.4870
H9	3.3837	2.1318	1.0849	2.1733	3.4143	3.8795	4.4870	2.5931		2.5045	4.3182	4.9636
H10	3.8655	3.3873	2.1498	1.0850	2.1587	3.4044	5.2062	4.5132	2.5045		2.4930	4.3182
H11	3.3873	3.8655	3.4044	2.1587	1.0850	2.1498	4.5132	5.2062	4.3182	2.4930		2.5045
H12	2.1318	3.3837	3.8795	3.4143	2.1733	1.0849	2.5931	4.4870	4.9636	4.3182	2.5045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.373	C1	C2	F8	119.252
C1	C6	C5	119.575	C1	C6	H12	118.574
C2	C1	C6	120.373	C2	C1	F7	119.252
C2	C3	C4	119.575	C2	C3	H9	118.574
C3	C2	F8	120.375	C3	C4	C5	120.052
C3	C4	H10	119.611	C4	C3	H9	121.851
C4	C5	C6	120.052	C4	C5	H11	120.338
C5	C4	H10	120.338	C5	C6	H12	121.851
C6	C1	F7	120.375	C6	C5	H11	119.611

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)