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	hartrees
Energy at 0K	-429.284039
Energy at 298.15K	-429.289007
Nuclear repulsion energy	349.553601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3361	3105	1.67
2	A₁	3346	3091	9.43
3	A₁	1784	1648	29.51
4	A₁	1664	1537	202.66
5	A₁	1396	1289	97.23
6	A₁	1344	1242	7.06
7	A₁	1234	1140	0.00
8	A₁	1111	1026	6.53
9	A₁	826	763	34.67
10	A₁	611	564	4.05
11	A₁	296	274	0.43
12	A₂	1004	927	0.00
13	A₂	905	836	0.00
14	A₂	659	608	0.00
15	A₂	577	533	0.00
16	A₂	202	186	0.00
17	B₁	991	915	7.37
18	B₁	820	757	91.14
19	B₁	487	450	1.10
20	B₁	315	291	0.17
21	B₂	3357	3101	3.38
22	B₂	3332	3078	1.39
23	B₂	1785	1649	7.61
24	B₂	1591	1470	15.92
25	B₂	1372	1267	8.03
26	B₂	1312	1212	36.66
27	B₂	1190	1100	18.68
28	B₂	903	834	15.57
29	B₂	579	534	4.25
30	B₂	463	428	0.38

Atom	y (Å)	z (Å)
C1	0.686	-0.529
C2	-0.686	-0.529
C3	-1.385	0.653
C4	-0.692	1.850
C5	0.692	1.850
C6	1.385	0.653
F7	1.336	-1.694
F8	-1.336	-1.694
H9	-2.461	0.619
H10	-1.235	2.779
H11	1.235	2.779
H12	2.461	0.619

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3722	2.3848	2.7487	2.3783	1.3733	1.3341	2.3337	3.3494	3.8251	3.3528	2.1133
C2	1.3722		1.3733	2.3783	2.7487	2.3848	2.3337	1.3341	2.1133	3.3528	3.8251	3.3494
C3	2.3848	1.3733		1.3825	2.3971	2.7704	3.5936	2.3476	1.0759	2.1307	3.3741	3.8459
C4	2.7487	2.3783	1.3825		1.3841	2.3971	4.0827	3.6013	2.1544	1.0764	2.1397	3.3842
C5	2.3783	2.7487	2.3971	1.3841		1.3825	3.6013	4.0827	3.3842	2.1397	1.0764	2.1544
C6	1.3733	2.3848	2.7704	2.3971	1.3825		2.3476	3.5936	3.8459	3.3741	2.1307	1.0759
F7	1.3341	2.3337	3.5936	4.0827	3.6013	2.3476		2.6721	4.4456	5.1590	4.4736	2.5717
F8	2.3337	1.3341	2.3476	3.6013	4.0827	3.5936	2.6721		2.5717	4.4736	5.1590	4.4456
H9	3.3494	2.1133	1.0759	2.1544	3.3842	3.8459	4.4456	2.5717		2.4830	4.2806	4.9210
H10	3.8251	3.3528	2.1307	1.0764	2.1397	3.3741	5.1590	4.4736	2.4830		2.4707	4.2806
H11	3.3528	3.8251	3.3741	2.1397	1.0764	2.1307	4.4736	5.1590	4.2806	2.4707		2.4830
H12	2.1133	3.3494	3.8459	3.3842	2.1544	1.0759	2.5717	4.4456	4.9210	4.2806	2.4830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.601	C1	C2	F8	119.156
C1	C6	C5	119.310	C1	C6	H12	118.778
C2	C1	C6	120.601	C2	C1	F7	119.156
C2	C3	C4	119.310	C2	C3	H9	118.778
C3	C2	F8	120.243	C3	C4	C5	120.089
C3	C4	H10	119.598	C4	C3	H9	121.911
C4	C5	C6	120.089	C4	C5	H11	120.313
C5	C4	H10	120.313	C5	C6	H12	121.911
C6	C1	F7	120.243	C6	C5	H11	119.598

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)