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	hartrees
Energy at 0K	-429.459443
Energy at 298.15K	-429.464467
Nuclear repulsion energy	350.008365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3094	3.21
2	A₁	3329	3080	9.63
3	A₁	1766	1634	33.46
4	A₁	1649	1526	217.82
5	A₁	1384	1281	114.11
6	A₁	1326	1227	5.69
7	A₁	1215	1124	0.01
8	A₁	1100	1018	7.67
9	A₁	819	758	37.46
10	A₁	609	563	4.28
11	A₁	302	280	0.43
12	A₂	993	919	0.00
13	A₂	907	840	0.00
14	A₂	709	656	0.00
15	A₂	576	533	0.00
16	A₂	201	186	0.00
17	B₁	991	917	9.61
18	B₁	818	757	103.26
19	B₁	494	457	3.14
20	B₁	317	293	0.01
21	B₂	3338	3089	5.52
22	B₂	3316	3068	1.09
23	B₂	1769	1636	8.45
24	B₂	1576	1458	17.21
25	B₂	1362	1261	7.71
26	B₂	1300	1203	41.90
27	B₂	1178	1090	21.62
28	B₂	897	830	17.55
29	B₂	579	536	4.30
30	B₂	462	428	0.35

Atom	y (Å)	z (Å)
C1	0.686	-0.532
C2	-0.686	-0.532
C3	-1.385	0.652
C4	-0.692	1.849
C5	0.692	1.849
C6	1.385	0.652
F7	1.335	-1.690
F8	-1.335	-1.690
H9	-2.460	0.618
H10	-1.236	2.777
H11	1.236	2.777
H12	2.460	0.618

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3727	2.3855	2.7512	2.3808	1.3742	1.3275	2.3300	3.3498	3.8270	3.3546	2.1135
C2	1.3727		1.3742	2.3808	2.7512	2.3855	2.3300	1.3275	2.1135	3.3546	3.8270	3.3498
C3	2.3855	1.3742		1.3833	2.3979	2.7700	3.5893	2.3418	1.0756	2.1312	3.3747	3.8452
C4	2.7512	2.3808	1.3833		1.3849	2.3979	4.0786	3.5967	2.1542	1.0758	2.1402	3.3844
C5	2.3808	2.7512	2.3979	1.3849		1.3833	3.5967	4.0786	3.3844	2.1402	1.0758	2.1542
C6	1.3742	2.3855	2.7700	2.3979	1.3833		2.3418	3.5893	3.8452	3.3747	2.1312	1.0756
F7	1.3275	2.3300	3.5893	4.0786	3.5967	2.3418		2.6710	4.4418	5.1544	4.4683	2.5668
F8	2.3300	1.3275	2.3418	3.5967	4.0786	3.5893	2.6710		2.5668	4.4683	5.1544	4.4418
H9	3.3498	2.1135	1.0756	2.1542	3.3844	3.8452	4.4418	2.5668		2.4827	4.2807	4.9201
H10	3.8270	3.3546	2.1312	1.0758	2.1402	3.3747	5.1544	4.4683	2.4827		2.4716	4.2807
H11	3.3546	3.8270	3.3747	2.1402	1.0758	2.1312	4.4683	5.1544	4.2807	2.4716		2.4827
H12	2.1135	3.3498	3.8452	3.3844	2.1542	1.0756	2.5668	4.4418	4.9201	4.2807	2.4827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.558	C1	C2	F8	119.274
C1	C6	C5	119.398	C1	C6	H12	118.752
C2	C1	C6	120.558	C2	C1	F7	119.274
C2	C3	C4	119.398	C2	C3	H9	118.752
C3	C2	F8	120.168	C3	C4	C5	120.044
C3	C4	H10	119.620	C4	C3	H9	121.851
C4	C5	C6	120.044	C4	C5	H11	120.336
C5	C4	H10	120.336	C5	C6	H12	121.851
C6	C1	F7	120.168	C6	C5	H11	119.620

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)