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	hartrees
Energy at 0K	-82.958574
Energy at 298.15K	-82.963683
Nuclear repulsion energy	178.083755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3418	3069	7.28
2	A₁	3396	3050	19.06
3	A₁	1817	1631	46.90
4	A₁	1685	1513	233.67
5	A₁	1412	1268	136.49
6	A₁	1332	1196	3.86
7	A₁	1216	1092	0.05
8	A₁	1118	1004	9.32
9	A₁	834	749	41.97
10	A₁	607	545	3.83
11	A₁	306	275	0.49
12	A₂	1104	992	0.00
13	A₂	975	875	0.00
14	A₂	747	671	0.00
15	A₂	597	536	0.00
16	A₂	207	186	0.00
17	B₁	1072	962	4.47
18	B₁	866	778	112.73
19	B₁	494	444	2.72
20	B₁	320	287	0.07
21	B₂	3411	3063	17.66
22	B₂	3375	3031	1.76
23	B₂	1813	1628	12.72
24	B₂	1606	1442	16.84
25	B₂	1390	1248	9.05
26	B₂	1321	1186	52.99
27	B₂	1197	1075	24.02
28	B₂	899	807	16.60
29	B₂	582	523	4.52
30	B₂	463	416	0.32

Atom	y (Å)	z (Å)
C1	0.696	-0.544
C2	-0.696	-0.544
C3	-1.410	0.656
C4	-0.704	1.873
C5	0.704	1.873
C6	1.410	0.656
F7	1.347	-1.704
F8	-1.347	-1.704
H9	-2.486	0.622
H10	-1.248	2.802
H11	1.248	2.802
H12	2.486	0.622

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3921	2.4238	2.7930	2.4166	1.3961	1.3309	2.3498	3.3885	3.8699	3.3912	2.1356
C2	1.3921		1.3961	2.4166	2.7930	2.4238	2.3498	1.3309	2.1356	3.3912	3.8699	3.3885
C3	2.4238	1.3961		1.4066	2.4393	2.8198	3.6295	2.3615	1.0764	2.1522	3.4164	3.8958
C4	2.7930	2.4166	1.4066		1.4086	2.4393	4.1238	3.6347	2.1770	1.0769	2.1625	3.4267
C5	2.4166	2.7930	2.4393	1.4086		1.4066	3.6347	4.1238	3.4267	2.1625	1.0769	2.1770
C6	1.3961	2.4238	2.8198	2.4393	1.4066		2.3615	3.6295	3.8958	3.4164	2.1522	1.0764
F7	1.3309	2.3498	3.6295	4.1238	3.6347	2.3615		2.6941	4.4834	5.2007	4.5078	2.5899
F8	2.3498	1.3309	2.3615	3.6347	4.1238	3.6295	2.6941		2.5899	4.5078	5.2007	4.4834
H9	3.3885	2.1356	1.0764	2.1770	3.4267	3.8958	4.4834	2.5899		2.5072	4.3242	4.9715
H10	3.8699	3.3912	2.1522	1.0769	2.1625	3.4164	5.2007	4.5078	2.5072		2.4967	4.3242
H11	3.3912	3.8699	3.4164	2.1625	1.0769	2.1522	4.5078	5.2007	4.3242	2.4967		2.5072
H12	2.1356	3.3885	3.8958	3.4267	2.1770	1.0764	2.5899	4.4834	4.9715	4.3242	2.5072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.751	C1	C2	F8	119.283
C1	C6	C5	119.139	C1	C6	H12	118.913
C2	C1	C6	120.751	C2	C1	F7	119.283
C2	C3	C4	119.139	C2	C3	H9	118.913
C3	C2	F8	119.965	C3	C4	C5	120.109
C3	C4	H10	119.544	C4	C3	H9	121.948
C4	C5	C6	120.109	C4	C5	H11	120.347
C5	C4	H10	120.347	C5	C6	H12	121.948
C6	C1	F7	119.965	C6	C5	H11	119.544

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	0.201
2	C	0.201
3	C	-0.261
4	C	-0.299
5	C	-0.299
6	C	-0.261
7	F	-0.216
8	F	-0.216
9	H	0.299
10	H	0.277
11	H	0.277
12	H	0.299

<r²>	183.504
(<r²>)^1/2	13.546

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)