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	hartrees
Energy at 0K	-429.715570
Energy at 298.15K	-429.720111
Nuclear repulsion energy	346.733307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3085	1.94
2	A₁	3233	3072	6.34
3	A₁	1659	1577	29.91
4	A₁	1553	1476	189.16
5	A₁	1453	1380	5.22
6	A₁	1311	1246	103.98
7	A₁	1173	1115	0.80
8	A₁	1047	995	6.39
9	A₁	774	736	30.87
10	A₁	576	547	3.43
11	A₁	286	272	0.34
12	A₂	890	846	0.00
13	A₂	820	779	0.00
14	A₂	587	558	0.00
15	A₂	416	395	0.00
16	A₂	182	173	0.00
17	B₁	890	846	7.07
18	B₁	756	718	87.14
19	B₁	453	430	2.67
20	B₁	293	279	0.00
21	B₂	3241	3080	1.99
22	B₂	3221	3061	0.81
23	B₂	1661	1578	8.78
24	B₂	1488	1414	11.95
25	B₂	1286	1222	7.54
26	B₂	1230	1168	33.07
27	B₂	1119	1063	22.52
28	B₂	856	813	16.00
29	B₂	550	522	3.37
30	B₂	437	415	0.30

Atom	y (Å)	z (Å)
C1	0.696	-0.539
C2	-0.696	-0.539
C3	-1.399	0.660
C4	-0.699	1.870
C5	0.699	1.870
C6	1.399	0.660
F7	1.352	-1.709
F8	-1.352	-1.709
H9	-2.483	0.626
H10	-1.247	2.806
H11	1.247	2.806
H12	2.483	0.626

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3930	2.4142	2.7840	2.4088	1.3898	1.3413	2.3592	3.3857	3.8687	3.3900	2.1322
C2	1.3930		1.3898	2.4088	2.7840	2.4142	2.3592	1.3413	2.1322	3.3900	3.8687	3.3857
C3	2.4142	1.3898		1.3973	2.4217	2.7975	3.6306	2.3698	1.0845	2.1511	3.4066	3.8816
C4	2.7840	2.4088	1.3973		1.3984	2.4217	4.1251	3.6380	2.1747	1.0847	2.1598	3.4166
C5	2.4088	2.7840	2.4217	1.3984		1.3973	3.6380	4.1251	3.4166	2.1598	1.0847	2.1747
C6	1.3898	2.4142	2.7975	2.4217	1.3973		2.3698	3.6306	3.8816	3.4066	2.1511	1.0845
F7	1.3413	2.3592	3.6306	4.1251	3.6380	2.3698		2.7043	4.4895	5.2098	4.5163	2.5938
F8	2.3592	1.3413	2.3698	3.6380	4.1251	3.6306	2.7043		2.5938	4.5163	5.2098	4.4895
H9	3.3857	2.1322	1.0845	2.1747	3.4166	3.8816	4.4895	2.5938		2.5063	4.3205	4.9654
H10	3.8687	3.3900	2.1511	1.0847	2.1598	3.4066	5.2098	4.5163	2.5063		2.4943	4.3205
H11	3.3900	3.8687	3.4066	2.1598	1.0847	2.1511	4.5163	5.2098	4.3205	2.4943		2.5063
H12	2.1322	3.3857	3.8816	3.4166	2.1747	1.0845	2.5938	4.4895	4.9654	4.3205	2.5063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.353	C1	C2	F8	119.264
C1	C6	C5	119.604	C1	C6	H12	118.510
C2	C1	C6	120.353	C2	C1	F7	119.264
C2	C3	C4	119.604	C2	C3	H9	118.510
C3	C2	F8	120.383	C3	C4	C5	120.042
C3	C4	H10	119.617	C4	C3	H9	121.886
C4	C5	C6	120.042	C4	C5	H11	120.341
C5	C4	H10	120.341	C5	C6	H12	121.886
C6	C1	F7	120.383	C6	C5	H11	119.617

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)