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	hartrees
Energy at 0K	-428.405400
Energy at 298.15K	-428.410620
Nuclear repulsion energy	350.440193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3388	3058	2.79
2	A₁	3372	3043	13.33
3	A₁	1815	1638	35.49
4	A₁	1698	1532	215.30
5	A₁	1422	1283	118.57
6	A₁	1322	1194	4.41
7	A₁	1208	1090	0.80
8	A₁	1123	1013	7.52
9	A₁	841	759	36.49
10	A₁	627	566	4.85
11	A₁	307	277	0.47
12	A₂	1104	997	0.00
13	A₂	965	871	0.00
14	A₂	765	691	0.00
15	A₂	612	553	0.00
16	A₂	211	191	0.00
17	B₁	1066	962	8.31
18	B₁	856	772	91.92
19	B₁	512	462	1.00
20	B₁	328	296	0.37
21	B₂	3383	3054	7.35
22	B₂	3357	3030	1.72
23	B₂	1817	1640	8.31
24	B₂	1624	1466	17.15
25	B₂	1407	1270	10.74
26	B₂	1340	1210	41.67
27	B₂	1210	1092	15.68
28	B₂	924	834	18.06
29	B₂	595	537	5.05
30	B₂	476	430	0.37

Atom	y (Å)	z (Å)
C1	0.684	-0.530
C2	-0.684	-0.530
C3	-1.384	0.650
C4	-0.692	1.845
C5	0.692	1.845
C6	1.384	0.650
F7	1.331	-1.686
F8	-1.331	-1.686
H9	-2.456	0.615
H10	-1.233	2.771
H11	1.233	2.771
H12	2.456	0.615

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3680	2.3806	2.7448	2.3751	1.3714	1.3252	2.3231	3.3418	3.8176	3.3465	2.1092
C2	1.3680		1.3714	2.3751	2.7448	2.3806	2.3231	1.3252	2.1092	3.3465	3.8176	3.3418
C3	2.3806	1.3714		1.3818	2.3955	2.7680	3.5814	2.3367	1.0722	2.1272	3.3694	3.8399
C4	2.7448	2.3751	1.3818		1.3834	2.3955	4.0699	3.5893	2.1508	1.0728	2.1362	3.3794
C5	2.3751	2.7448	2.3955	1.3834		1.3818	3.5893	4.0699	3.3794	2.1362	1.0728	2.1508
C6	1.3714	2.3806	2.7680	2.3955	1.3818		2.3367	3.5814	3.8399	3.3694	2.1272	1.0722
F7	1.3252	2.3231	3.5814	4.0699	3.5893	2.3367		2.6612	4.4308	5.1427	4.4590	2.5616
F8	2.3231	1.3252	2.3367	3.5893	4.0699	3.5814	2.6612		2.5616	4.4590	5.1427	4.4308
H9	3.3418	2.1092	1.0722	2.1508	3.3794	3.8399	4.4308	2.5616		2.4789	4.2732	4.9114
H10	3.8176	3.3465	2.1272	1.0728	2.1362	3.3694	5.1427	4.4590	2.4789		2.4668	4.2732
H11	3.3465	3.8176	3.3694	2.1362	1.0728	2.1272	4.4590	5.1427	4.2732	2.4668		2.4789
H12	2.1092	3.3418	3.8399	3.3794	2.1508	1.0722	2.5616	4.4308	4.9114	4.2732	2.4789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.693	C1	C2	F8	119.202
C1	C6	C5	119.239	C1	C6	H12	118.832
C2	C1	C6	120.693	C2	C1	F7	119.202
C2	C3	C4	119.239	C2	C3	H9	118.832
C3	C2	F8	120.105	C3	C4	C5	120.069
C3	C4	H10	119.604	C4	C3	H9	121.930
C4	C5	C6	120.069	C4	C5	H11	120.327
C5	C4	H10	120.327	C5	C6	H12	121.930
C6	C1	F7	120.105	C6	C5	H11	119.604

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.384
2	C	0.384
3	C	-0.206
4	C	-0.149
5	C	-0.149
6	C	-0.206
7	F	-0.375
8	F	-0.375
9	H	0.181
10	H	0.164
11	H	0.164
12	H	0.181

<r²>	226.298
(<r²>)^1/2	15.043

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)