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	hartrees
Energy at 0K	-429.287979
Energy at 298.15K	-429.292945
Nuclear repulsion energy	349.471954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3360	3110	1.74
2	A₁	3344	3096	9.66
3	A₁	1782	1650	29.24
4	A₁	1662	1539	202.21
5	A₁	1394	1291	97.95
6	A₁	1342	1242	7.20
7	A₁	1233	1142	0.00
8	A₁	1110	1028	6.50
9	A₁	825	764	34.52
10	A₁	610	565	4.04
11	A₁	296	274	0.42
12	A₂	1005	931	0.00
13	A₂	905	838	0.00
14	A₂	659	610	0.00
15	A₂	577	534	0.00
16	A₂	202	187	0.00
17	B₁	992	918	7.33
18	B₁	820	759	90.93
19	B₁	487	451	1.11
20	B₁	315	291	0.16
21	B₂	3355	3106	3.62
22	B₂	3330	3083	1.40
23	B₂	1783	1651	7.61
24	B₂	1590	1472	15.82
25	B₂	1371	1269	7.85
26	B₂	1310	1213	36.74
27	B₂	1189	1101	18.74
28	B₂	902	835	15.60
29	B₂	578	535	4.23
30	B₂	462	428	0.38

Atom	y (Å)	z (Å)
C1	0.686	-0.529
C2	-0.686	-0.529
C3	-1.386	0.654
C4	-0.692	1.850
C5	0.692	1.850
C6	1.386	0.654
F7	1.336	-1.694
F8	-1.336	-1.694
H9	-2.461	0.619
H10	-1.236	2.779
H11	1.236	2.779
H12	2.461	0.619

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3727	2.3856	2.7496	2.3790	1.3737	1.3344	2.3344	3.3503	3.8261	3.3536	2.1138
C2	1.3727		1.3737	2.3790	2.7496	2.3856	2.3344	1.3344	2.1138	3.3536	3.8261	3.3503
C3	2.3856	1.3737		1.3829	2.3978	2.7712	3.5946	2.3483	1.0760	2.1312	3.3749	3.8468
C4	2.7496	2.3790	1.3829		1.3845	2.3978	4.0839	3.6024	2.1549	1.0765	2.1402	3.3850
C5	2.3790	2.7496	2.3978	1.3845		1.3829	3.6024	4.0839	3.3850	2.1402	1.0765	2.1549
C6	1.3737	2.3856	2.7712	2.3978	1.3829		2.3483	3.5946	3.8468	3.3749	2.1312	1.0760
F7	1.3344	2.3344	3.5946	4.0839	3.6024	2.3483		2.6728	4.4467	5.1603	4.4748	2.5725
F8	2.3344	1.3344	2.3483	3.6024	4.0839	3.5946	2.6728		2.5725	4.4748	5.1603	4.4467
H9	3.3503	2.1138	1.0760	2.1549	3.3850	3.8468	4.4467	2.5725		2.4835	4.2815	4.9221
H10	3.8261	3.3536	2.1312	1.0765	2.1402	3.3749	5.1603	4.4748	2.4835		2.4713	4.2815
H11	3.3536	3.8261	3.3749	2.1402	1.0765	2.1312	4.4748	5.1603	4.2815	2.4713		2.4835
H12	2.1138	3.3503	3.8468	3.3850	2.1549	1.0760	2.5725	4.4467	4.9221	4.2815	2.4835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.598	C1	C2	F8	119.153
C1	C6	C5	119.313	C1	C6	H12	118.775
C2	C1	C6	120.598	C2	C1	F7	119.153
C2	C3	C4	119.313	C2	C3	H9	118.775
C3	C2	F8	120.248	C3	C4	C5	120.089
C3	C4	H10	119.597	C4	C3	H9	121.911
C4	C5	C6	120.089	C4	C5	H11	120.315
C5	C4	H10	120.315	C5	C6	H12	121.911
C6	C1	F7	120.248	C6	C5	H11	119.597

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)