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	hartrees
Energy at 0K	-429.715770
Energy at 298.15K	-429.720414
Nuclear repulsion energy	346.654575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3083	3.11
2	A₁	3205	3068	10.18
3	A₁	1682	1611	27.98
4	A₁	1574	1507	187.28
5	A₁	1322	1266	94.37
6	A₁	1288	1233	7.58
7	A₁	1176	1126	0.03
8	A₁	1054	1009	6.89
9	A₁	781	748	32.45
10	A₁	582	557	3.88
11	A₁	289	277	0.37
12	A₂	888	850	0.00
13	A₂	831	796	0.00
14	A₂	614	588	0.00
15	A₂	501	480	0.00
16	A₂	188	180	0.00
17	B₁	898	860	9.51
18	B₁	764	731	95.18
19	B₁	460	441	3.18
20	B₁	297	285	0.01
21	B₂	3215	3078	6.07
22	B₂	3192	3056	1.18
23	B₂	1686	1614	7.64
24	B₂	1507	1442	14.18
25	B₂	1301	1246	5.64
26	B₂	1242	1189	34.95
27	B₂	1128	1080	20.91
28	B₂	858	822	15.67
29	B₂	553	529	3.86
30	B₂	441	422	0.36

Atom	y (Å)	z (Å)
C1	0.695	-0.539
C2	-0.695	-0.539
C3	-1.400	0.660
C4	-0.700	1.870
C5	0.700	1.870
C6	1.400	0.660
F7	1.351	-1.709
F8	-1.351	-1.709
H9	-2.487	0.626
H10	-1.249	2.808
H11	1.249	2.808
H12	2.487	0.626

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3910	2.4140	2.7832	2.4083	1.3902	1.3411	2.3573	3.3885	3.8705	3.3923	2.1366
C2	1.3910		1.3902	2.4083	2.7832	2.4140	2.3573	1.3411	2.1366	3.3923	3.8705	3.3885
C3	2.4140	1.3902		1.3979	2.4234	2.8001	3.6301	2.3689	1.0870	2.1538	3.4105	3.8867
C4	2.7832	2.4083	1.3979		1.3994	2.4234	4.1242	3.6370	2.1768	1.0873	2.1627	3.4202
C5	2.4083	2.7832	2.4234	1.3994		1.3979	3.6370	4.1242	3.4202	2.1627	1.0873	2.1768
C6	1.3902	2.4140	2.8001	2.4234	1.3979		2.3689	3.6301	3.8867	3.4105	2.1538	1.0870
F7	1.3411	2.3573	3.6301	4.1242	3.6370	2.3689		2.7021	4.4921	5.2115	4.5180	2.5964
F8	2.3573	1.3411	2.3689	3.6370	4.1242	3.6301	2.7021		2.5964	4.5180	5.2115	4.4921
H9	3.3885	2.1366	1.0870	2.1768	3.4202	3.8867	4.4921	2.5964		2.5086	4.3257	4.9730
H10	3.8705	3.3923	2.1538	1.0873	2.1627	3.4105	5.2115	4.5180	2.5086		2.4973	4.3257
H11	3.3923	3.8705	3.4105	2.1627	1.0873	2.1538	4.5180	5.2115	4.3257	2.4973		2.5086
H12	2.1366	3.3885	3.8867	3.4202	2.1768	1.0870	2.5964	4.4921	4.9730	4.3257	2.5086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.452	C1	C2	F8	119.263
C1	C6	C5	119.484	C1	C6	H12	118.690
C2	C1	C6	120.452	C2	C1	F7	119.263
C2	C3	C4	119.484	C2	C3	H9	118.690
C3	C2	F8	120.285	C3	C4	C5	120.064
C3	C4	H10	119.615	C4	C3	H9	121.826
C4	C5	C6	120.064	C4	C5	H11	120.321
C5	C4	H10	120.321	C5	C6	H12	121.826
C6	C1	F7	120.285	C6	C5	H11	119.615

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)