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	hartrees
Energy at 0K	-422.806585
Energy at 298.15K	-422.811445
Nuclear repulsion energy	345.904317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3747	3060	7.57
2	A₁	3730	3046	1.28
3	A₁	1900	1552	3.32
4	A₁	1814	1481	93.12
5	A₁	1539	1256	15.10
6	A₁	1362	1112	0.41
7	A₁	1210	988	0.10
8	A₁	1150	939	4.09
9	A₁	881	720	3.05
10	A₁	651	531	0.85
11	A₁	285	232	0.56
12	A₂	1197	978	0.00
13	A₂	1049	856	0.00
14	A₂	848	692	0.00
15	A₂	630	514	0.00
16	A₂	213	174	0.00
17	B₁	1150	939	3.38
18	B₁	913	745	29.46
19	B₁	529	432	0.03
20	B₁	331	270	0.81
21	B₂	3737	3052	21.84
22	B₂	3716	3034	1.24
23	B₂	1946	1589	5.00
24	B₂	1743	1423	18.94
25	B₂	1537	1255	5.96
26	B₂	1430	1167	2.69
27	B₂	1289	1052	1.36
28	B₂	976	797	2.40
29	B₂	594	485	3.08
30	B₂	475	387	1.30

Atom	y (Å)	z (Å)
C1	0.699	-0.536
C2	-0.699	-0.536
C3	-1.387	0.669
C4	-0.692	1.863
C5	0.692	1.863
C6	1.387	0.669
F7	1.373	-1.714
F8	-1.373	-1.714
H9	-2.462	0.651
H10	-1.231	2.794
H11	1.231	2.794
H12	2.462	0.651

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3986	2.4090	2.7735	2.3994	1.3872	1.3565	2.3832	3.3773	3.8492	3.3724	2.1256
C2	1.3986		1.3872	2.3994	2.7735	2.4090	2.3832	1.3565	2.1256	3.3724	3.8492	3.3773
C3	2.4090	1.3872		1.3818	2.3973	2.7734	3.6456	2.3825	1.0758	2.1311	3.3718	3.8491
C4	2.7735	2.3994	1.3818		1.3838	2.3973	4.1299	3.6411	2.1456	1.0757	2.1363	3.3791
C5	2.3994	2.7735	2.3973	1.3838		1.3818	3.6411	4.1299	3.3791	2.1363	1.0757	2.1456
C6	1.3872	2.4090	2.7734	2.3973	1.3818		2.3825	3.6456	3.8491	3.3718	2.1311	1.0758
F7	1.3565	2.3832	3.6456	4.1299	3.6411	2.3825		2.7454	4.5056	5.2057	4.5100	2.6038
F8	2.3832	1.3565	2.3825	3.6411	4.1299	3.6456	2.7454		2.6038	4.5100	5.2057	4.5056
H9	3.3773	2.1256	1.0758	2.1456	3.3791	3.8491	4.5056	2.6038		2.4716	4.2700	4.9248
H10	3.8492	3.3724	2.1311	1.0757	2.1363	3.3718	5.2057	4.5100	2.4716		2.4619	4.2700
H11	3.3724	3.8492	3.3718	2.1363	1.0757	2.1311	4.5100	5.2057	4.2700	2.4619		2.4716
H12	2.1256	3.3773	3.8491	3.3791	2.1456	1.0758	2.6038	4.5056	4.9248	4.2700	2.4716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.705	C1	C2	F8	119.763
C1	C6	C5	120.108	C1	C6	H12	118.768
C2	C1	C6	119.705	C2	C1	F7	119.763
C2	C3	C4	120.108	C2	C3	H9	118.768
C3	C2	F8	120.532	C3	C4	C5	120.187
C3	C4	H10	119.740	C4	C3	H9	121.124
C4	C5	C6	120.187	C4	C5	H11	120.073
C5	C4	H10	120.073	C5	C6	H12	121.124
C6	C1	F7	120.532	C6	C5	H11	119.740

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: HF/STO-3G

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	0.119
2	C	0.119
3	C	-0.079
4	C	-0.061
5	C	-0.061
6	C	-0.079
7	F	-0.126
8	F	-0.126
9	H	0.077
10	H	0.070
11	H	0.070
12	H	0.077

<r²>	229.824
(<r²>)^1/2	15.160

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)