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	hartrees
Energy at 0K	-430.467306
Energy at 298.15K	-430.472594
Nuclear repulsion energy	346.790885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3100	2.07
2	A₁	3213	3086	13.07
3	A₁	1665	1598	21.84
4	A₁	1563	1501	175.65
5	A₁	1357	1303	0.06
6	A₁	1318	1265	113.42
7	A₁	1185	1138	0.67
8	A₁	1054	1012	5.43
9	A₁	783	752	28.58
10	A₁	582	559	3.84
11	A₁	281	270	0.26
12	A₂	969	930	0.00
13	A₂	853	820	0.00
14	A₂	676	649	0.00
15	A₂	560	538	0.00
16	A₂	191	184	0.00
17	B₁	935	898	5.20
18	B₁	767	736	66.76
19	B₁	464	445	1.25
20	B₁	297	286	0.04
21	B₂	3224	3096	6.94
22	B₂	3201	3073	1.59
23	B₂	1665	1599	7.24
24	B₂	1506	1446	10.34
25	B₂	1300	1249	8.38
26	B₂	1241	1191	32.56
27	B₂	1131	1086	17.75
28	B₂	862	828	15.47
29	B₂	550	528	3.29
30	B₂	441	424	0.18

Atom	y (Å)	z (Å)
C1	0.696	-0.536
C2	-0.696	-0.536
C3	-1.398	0.661
C4	-0.698	1.867
C5	0.698	1.867
C6	1.398	0.661
F7	1.351	-1.710
F8	-1.351	-1.710
H9	-2.482	0.628
H10	-1.246	2.805
H11	1.246	2.805
H12	2.482	0.628

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3915	2.4121	2.7787	2.4038	1.3883	1.3439	2.3594	3.3848	3.8642	3.3860	2.1328
C2	1.3915		1.3883	2.4038	2.7787	2.4121	2.3594	1.3439	2.1328	3.3860	3.8642	3.3848
C3	2.4121	1.3883		1.3946	2.4186	2.7961	3.6303	2.3711	1.0848	2.1489	3.4036	3.8806
C4	2.7787	2.4038	1.3946		1.3965	2.4186	4.1225	3.6361	2.1723	1.0855	2.1581	3.4135
C5	2.4038	2.7787	2.4186	1.3965		1.3946	3.6361	4.1225	3.4135	2.1581	1.0855	2.1723
C6	1.3883	2.4121	2.7961	2.4186	1.3946		2.3711	3.6303	3.8806	3.4036	2.1489	1.0848
F7	1.3439	2.3594	3.6303	4.1225	3.6361	2.3711		2.7026	4.4903	5.2079	4.5154	2.5971
F8	2.3594	1.3439	2.3711	3.6361	4.1225	3.6303	2.7026		2.5971	4.5154	5.2079	4.4903
H9	3.3848	2.1328	1.0848	2.1723	3.4135	3.8806	4.4903	2.5971		2.5032	4.3169	4.9648
H10	3.8642	3.3860	2.1489	1.0855	2.1581	3.4036	5.2079	4.5154	2.5032		2.4915	4.3169
H11	3.3860	3.8642	3.4036	2.1581	1.0855	2.1489	4.5154	5.2079	4.3169	2.4915		2.5032
H12	2.1328	3.3848	3.8806	3.4135	2.1723	1.0848	2.5971	4.4903	4.9648	4.3169	2.5032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.391	C1	C2	F8	119.196
C1	C6	C5	119.487	C1	C6	H12	118.657
C2	C1	C6	120.391	C2	C1	F7	119.196
C2	C3	C4	119.487	C2	C3	H9	118.657
C3	C2	F8	120.412	C3	C4	C5	120.121
C3	C4	H10	119.586	C4	C3	H9	121.856
C4	C5	C6	120.121	C4	C5	H11	120.292
C5	C4	H10	120.292	C5	C6	H12	121.856
C6	C1	F7	120.412	C6	C5	H11	119.586

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: G3B3

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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Number	Element	Mulliken
1	C	0.317
2	C	0.317
3	C	-0.201
4	C	-0.130
5	C	-0.130
6	C	-0.201
7	F	-0.284
8	F	-0.284
9	H	0.155
10	H	0.142
11	H	0.142
12	H	0.155

<r²>	230.037
(<r²>)^1/2	15.167

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: G3B3

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)