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	hartrees
Energy at 0K	-429.455501
Energy at 298.15K	-429.460529
Nuclear repulsion energy	350.088907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3346	3109	3.12
2	A₁	3330	3094	9.42
3	A₁	1768	1642	33.98
4	A₁	1651	1534	218.46
5	A₁	1386	1287	113.26
6	A₁	1328	1234	5.55
7	A₁	1216	1130	0.01
8	A₁	1101	1023	7.69
9	A₁	820	762	37.54
10	A₁	609	566	4.28
11	A₁	303	281	0.44
12	A₂	992	922	0.00
13	A₂	908	843	0.00
14	A₂	709	659	0.00
15	A₂	576	535	0.00
16	A₂	201	187	0.00
17	B₁	991	921	9.70
18	B₁	819	761	103.49
19	B₁	494	459	3.13
20	B₁	317	295	0.01
21	B₂	3340	3103	5.25
22	B₂	3317	3082	1.08
23	B₂	1771	1645	8.48
24	B₂	1577	1465	17.33
25	B₂	1363	1267	8.00
26	B₂	1302	1210	41.79
27	B₂	1179	1095	21.49
28	B₂	898	834	17.47
29	B₂	580	539	4.31
30	B₂	463	430	0.35

Atom	y (Å)	z (Å)
C1	0.686	-0.532
C2	-0.686	-0.532
C3	-1.385	0.651
C4	-0.692	1.848
C5	0.692	1.848
C6	1.385	0.651
F7	1.335	-1.689
F8	-1.335	-1.689
H9	-2.460	0.617
H10	-1.236	2.777
H11	1.236	2.777
H12	2.460	0.617

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3723	2.3849	2.7505	2.3802	1.3738	1.3270	2.3293	3.3491	3.8262	3.3539	2.1132
C2	1.3723		1.3738	2.3802	2.7505	2.3849	2.3293	1.3270	2.1132	3.3539	3.8262	3.3491
C3	2.3849	1.3738		1.3830	2.3973	2.7694	3.5882	2.3410	1.0754	2.1308	3.3740	3.8445
C4	2.7505	2.3802	1.3830		1.3846	2.3973	4.0775	3.5956	2.1538	1.0757	2.1398	3.3838
C5	2.3802	2.7505	2.3973	1.3846		1.3830	3.5956	4.0775	3.3838	2.1398	1.0757	2.1538
C6	1.3738	2.3849	2.7694	2.3973	1.3830		2.3410	3.5882	3.8445	3.3740	2.1308	1.0754
F7	1.3270	2.3293	3.5882	4.0775	3.5956	2.3410		2.6702	4.4408	5.1531	4.4672	2.5661
F8	2.3293	1.3270	2.3410	3.5956	4.0775	3.5882	2.6702		2.5661	4.4672	5.1531	4.4408
H9	3.3491	2.1132	1.0754	2.1538	3.3838	3.8445	4.4408	2.5661		2.4823	4.2799	4.9192
H10	3.8262	3.3539	2.1308	1.0757	2.1398	3.3740	5.1531	4.4672	2.4823		2.4712	4.2799
H11	3.3539	3.8262	3.3740	2.1398	1.0757	2.1308	4.4672	5.1531	4.2799	2.4712		2.4823
H12	2.1132	3.3491	3.8445	3.3838	2.1538	1.0754	2.5661	4.4408	4.9192	4.2799	2.4823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.562	C1	C2	F8	119.276
C1	C6	C5	119.394	C1	C6	H12	118.755
C2	C1	C6	120.562	C2	C1	F7	119.276
C2	C3	C4	119.394	C2	C3	H9	118.755
C3	C2	F8	120.163	C3	C4	C5	120.044
C3	C4	H10	119.621	C4	C3	H9	121.851
C4	C5	C6	120.044	C4	C5	H11	120.335
C5	C4	H10	120.335	C5	C6	H12	121.851
C6	C1	F7	120.163	C6	C5	H11	119.621

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)