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	hartrees
Energy at 0K	-429.827522
Energy at 298.15K	-429.832373
Nuclear repulsion energy	349.220271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3080	1.51
2	A₁	3262	3066	3.27
3	A₁	1667	1567	37.61
4	A₁	1569	1474	193.19
5	A₁	1477	1388	6.66
6	A₁	1334	1253	75.52
7	A₁	1182	1111	0.73
8	A₁	1054	991	5.47
9	A₁	782	735	24.89
10	A₁	576	541	2.23
11	A₁	282	265	0.30
12	A₂	957	899	0.00
13	A₂	873	821	0.00
14	A₂	734	690	0.00
15	A₂	581	547	0.00
16	A₂	195	183	0.00
17	B₁	935	879	5.97
18	B₁	782	735	66.12
19	B₁	483	454	1.89
20	B₁	307	289	0.01
21	B₂	3269	3073	0.50
22	B₂	3252	3057	0.48
23	B₂	1669	1568	8.39
24	B₂	1491	1402	13.86
25	B₂	1285	1207	16.45
26	B₂	1237	1163	18.82
27	B₂	1127	1059	19.34
28	B₂	866	814	13.01
29	B₂	556	523	2.59
30	B₂	441	415	0.26

Atom	y (Å)	z (Å)
C1	0.691	-0.535
C2	-0.691	-0.535
C3	-1.389	0.655
C4	-0.694	1.857
C5	0.694	1.857
C6	1.389	0.655
F7	1.340	-1.696
F8	-1.340	-1.696
H9	-2.469	0.620
H10	-1.240	2.789
H11	1.240	2.789
H12	2.469	0.620

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3829	2.3974	2.7645	2.3920	1.3802	1.3301	2.3402	3.3654	3.8450	3.3696	2.1205
C2	1.3829		1.3802	2.3920	2.7645	2.3974	2.3402	1.3301	2.1205	3.3696	3.8450	3.3654
C3	2.3974	1.3802		1.3878	2.4052	2.7786	3.6031	2.3523	1.0806	2.1390	3.3864	3.8588
C4	2.7645	2.3920	1.3878		1.3887	2.4052	4.0945	3.6113	2.1631	1.0806	2.1477	3.3967
C5	2.3920	2.7645	2.4052	1.3887		1.3878	3.6113	4.0945	3.3967	2.1477	1.0806	2.1631
C6	1.3802	2.3974	2.7786	2.4052	1.3878		2.3523	3.6031	3.8588	3.3864	2.1390	1.0806
F7	1.3301	2.3402	3.6031	4.0945	3.6113	2.3523		2.6810	4.4589	5.1750	4.4867	2.5771
F8	2.3402	1.3301	2.3523	3.6113	4.0945	3.6031	2.6810		2.5771	4.4867	5.1750	4.4589
H9	3.3654	2.1205	1.0806	2.1631	3.3967	3.8588	4.4589	2.5771		2.4930	4.2971	4.9386
H10	3.8450	3.3696	2.1390	1.0806	2.1477	3.3864	5.1750	4.4867	2.4930		2.4805	4.2971
H11	3.3696	3.8450	3.3864	2.1477	1.0806	2.1390	4.4867	5.1750	4.2971	2.4805		2.4930
H12	2.1205	3.3654	3.8588	3.3967	2.1631	1.0806	2.5771	4.4589	4.9386	4.2971	2.4930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.374	C1	C2	F8	119.206
C1	C6	C5	119.578	C1	C6	H12	118.512
C2	C1	C6	120.374	C2	C1	F7	119.206
C2	C3	C4	119.578	C2	C3	H9	118.512
C3	C2	F8	120.421	C3	C4	C5	120.048
C3	C4	H10	119.608	C4	C3	H9	121.910
C4	C5	C6	120.048	C4	C5	H11	120.344
C5	C4	H10	120.344	C5	C6	H12	121.910
C6	C1	F7	120.421	C6	C5	H11	119.608

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)