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	hartrees
Energy at 0K	-429.522611
Energy at 298.15K	-429.527204
Nuclear repulsion energy	346.347370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3085	1.62
2	A₁	3224	3071	10.90
3	A₁	1704	1622	23.56
4	A₁	1591	1515	171.51
5	A₁	1335	1272	76.98
6	A₁	1309	1247	13.37
7	A₁	1198	1141	0.08
8	A₁	1066	1015	5.85
9	A₁	789	751	30.31
10	A₁	585	557	3.79
11	A₁	282	268	0.37
12	A₂	909	866	0.00
13	A₂	834	794	0.00
14	A₂	559	532	0.00
15	A₂	511	486	0.00
16	A₂	190	180	0.00
17	B₁	903	860	5.80
18	B₁	767	730	84.11
19	B₁	452	430	1.08
20	B₁	296	282	0.06
21	B₂	3236	3082	4.50
22	B₂	3211	3058	1.60
23	B₂	1704	1622	6.74
24	B₂	1525	1452	12.50
25	B₂	1313	1250	5.31
26	B₂	1254	1194	30.99
27	B₂	1144	1089	18.37
28	B₂	866	825	14.03
29	B₂	553	527	3.87
30	B₂	442	421	0.41

Atom	y (Å)	z (Å)
C1	0.695	-0.534
C2	-0.695	-0.534
C3	-1.399	0.662
C4	-0.699	1.869
C5	0.699	1.869
C6	1.399	0.662
F7	1.351	-1.713
F8	-1.351	-1.713
H9	-2.486	0.628
H10	-1.247	2.808
H11	1.247	2.808
H12	2.486	0.628

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3893	2.4116	2.7783	2.4036	1.3883	1.3488	2.3609	3.3864	3.8659	3.3881	2.1354
C2	1.3893		1.3883	2.4036	2.7783	2.4116	2.3609	1.3488	2.1354	3.3881	3.8659	3.3864
C3	2.4116	1.3883		1.3961	2.4209	2.7988	3.6336	2.3748	1.0870	2.1520	3.4079	3.8855
C4	2.7783	2.4036	1.3961		1.3977	2.4209	4.1270	3.6408	2.1758	1.0876	2.1610	3.4180
C5	2.4036	2.7783	2.4209	1.3977		1.3961	3.6408	4.1270	3.4180	2.1610	1.0876	2.1758
C6	1.3883	2.4116	2.7988	2.4209	1.3961		2.3748	3.6336	3.8855	3.4079	2.1520	1.0870
F7	1.3488	2.3609	3.6336	4.1270	3.6408	2.3748		2.7023	4.4947	5.2146	4.5222	2.6013
F8	2.3609	1.3488	2.3748	3.6408	4.1270	3.6336	2.7023		2.6013	4.5222	5.2146	4.4947
H9	3.3864	2.1354	1.0870	2.1758	3.4180	3.8855	4.4947	2.6013		2.5074	4.3233	4.9718
H10	3.8659	3.3881	2.1520	1.0876	2.1610	3.4079	5.2146	4.5222	2.5074		2.4949	4.3233
H11	3.3881	3.8659	3.4079	2.1610	1.0876	2.1520	4.5222	5.2146	4.3233	2.4949		2.5074
H12	2.1354	3.3864	3.8855	3.4180	2.1758	1.0870	2.6013	4.4947	4.9718	4.3233	2.5074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.508	C1	C2	F8	119.126
C1	C6	C5	119.370	C1	C6	H12	118.741
C2	C1	C6	120.508	C2	C1	F7	119.126
C2	C3	C4	119.370	C2	C3	H9	118.741
C3	C2	F8	120.366	C3	C4	C5	120.121
C3	C4	H10	119.586	C4	C3	H9	121.889
C4	C5	C6	120.121	C4	C5	H11	120.293
C5	C4	H10	120.293	C5	C6	H12	121.889
C6	C1	F7	120.366	C6	C5	H11	119.586

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)