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	hartrees
Energy at 0K	-82.812387
Energy at 298.15K	-82.817522
Nuclear repulsion energy	176.453705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3441	3102	7.99
2	A₁	3416	3079	20.27
3	A₁	1811	1632	19.54
4	A₁	1668	1503	148.23
5	A₁	1382	1246	90.98
6	A₁	1373	1238	1.38
7	A₁	1268	1143	0.51
8	A₁	1118	1008	11.15
9	A₁	809	729	42.09
10	A₁	613	552	6.96
11	A₁	295	266	1.15
12	A₂	1140	1028	0.00
13	A₂	1004	905	0.00
14	A₂	770	694	0.00
15	A₂	601	542	0.00
16	A₂	207	186	0.00
17	B₁	1104	995	4.36
18	B₁	890	803	133.29
19	B₁	501	452	3.12
20	B₁	314	283	0.68
21	B₂	3433	3095	14.09
22	B₂	3392	3057	3.12
23	B₂	1801	1623	4.84
24	B₂	1606	1447	14.91
25	B₂	1405	1266	0.16
26	B₂	1294	1166	28.18
27	B₂	1200	1081	34.30
28	B₂	905	816	18.72
29	B₂	571	515	6.00
30	B₂	455	410	0.97

Atom	y (Å)	z (Å)
C1	0.698	-0.537
C2	-0.698	-0.537
C3	-1.414	0.666
C4	-0.707	1.887
C5	0.707	1.887
C6	1.414	0.666
F7	1.370	-1.727
F8	-1.370	-1.727
H9	-2.486	0.632
H10	-1.249	2.813
H11	1.249	2.813
H12	2.486	0.632

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3960	2.4302	2.8015	2.4239	1.3998	1.3673	2.3865	3.3914	3.8745	3.3949	2.1359
C2	1.3960		1.3998	2.4239	2.8015	2.4302	2.3865	1.3673	2.1359	3.3949	3.8745	3.3914
C3	2.4302	1.3998		1.4107	2.4466	2.8270	3.6714	2.3940	1.0727	2.1532	3.4200	3.8994
C4	2.8015	2.4239	1.4107		1.4134	2.4466	4.1687	3.6749	2.1772	1.0730	2.1636	3.4303
C5	2.4239	2.8015	2.4466	1.4134		1.4107	3.6749	4.1687	3.4303	2.1636	1.0730	2.1772
C6	1.3998	2.4302	2.8270	2.4466	1.4107		2.3940	3.6714	3.8994	3.4200	2.1532	1.0727
F7	1.3673	2.3865	3.6714	4.1687	3.6749	2.3940		2.7405	4.5205	5.2417	4.5422	2.6097
F8	2.3865	1.3673	2.3940	3.6749	4.1687	3.6714	2.7405		2.6097	4.5422	5.2417	4.5205
H9	3.3914	2.1359	1.0727	2.1772	3.4303	3.8994	4.5205	2.6097		2.5075	4.3247	4.9714
H10	3.8745	3.3949	2.1532	1.0730	2.1636	3.4200	5.2417	4.5422	2.5075		2.4973	4.3247
H11	3.3949	3.8745	3.4200	2.1636	1.0730	2.1532	4.5422	5.2417	4.3247	2.4973		2.5075
H12	2.1359	3.3914	3.8994	3.4303	2.1772	1.0727	2.6097	4.5205	4.9714	4.3247	2.5075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.742	C1	C2	F8	119.451
C1	C6	C5	119.189	C1	C6	H12	118.910
C2	C1	C6	120.742	C2	C1	F7	119.451
C2	C3	C4	119.189	C2	C3	H9	118.910
C3	C2	F8	119.807	C3	C4	C5	120.069
C3	C4	H10	119.592	C4	C3	H9	121.901
C4	C5	C6	120.069	C4	C5	H11	120.338
C5	C4	H10	120.338	C5	C6	H12	121.901
C6	C1	F7	119.807	C6	C5	H11	119.592

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	0.136
2	C	0.136
3	C	-0.182
4	C	-0.241
5	C	-0.241
6	C	-0.182
7	F	-0.254
8	F	-0.254
9	H	0.284
10	H	0.257
11	H	0.257
12	H	0.284

<r²>	187.180
(<r²>)^1/2	13.681

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)