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	hartrees
Energy at 0K	-430.511290
Energy at 298.15K	-430.515859
Nuclear repulsion energy	340.840606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3141	2.33
2	A₁	3146	3122	16.27
3	A₁	1596	1584	8.11
4	A₁	1502	1491	103.73
5	A₁	1341	1331	0.19
6	A₁	1253	1243	82.95
7	A₁	1182	1173	1.70
8	A₁	1027	1020	5.68
9	A₁	743	737	25.06
10	A₁	570	565	5.97
11	A₁	266	264	0.39
12	A₂	964	956	0.00
13	A₂	842	835	0.00
14	A₂	668	663	0.00
15	A₂	543	538	0.00
16	A₂	182	181	0.00
17	B₁	927	920	5.12
18	B₁	757	751	77.06
19	B₁	453	449	1.98
20	B₁	281	279	0.13
21	B₂	3160	3136	7.86
22	B₂	3131	3107	2.67
23	B₂	1590	1578	3.20
24	B₂	1464	1453	6.83
25	B₂	1273	1263	0.95
26	B₂	1187	1178	18.79
27	B₂	1105	1096	21.60
28	B₂	840	834	15.12
29	B₂	524	520	3.49
30	B₂	422	419	0.27

Atom	y (Å)	z (Å)
C1	0.706	-0.537
C2	-0.706	-0.537
C3	-1.412	0.677
C4	-0.706	1.896
C5	0.706	1.896
C6	1.412	0.677
F7	1.387	-1.745
F8	-1.387	-1.745
H9	-2.503	0.647
H10	-1.256	2.839
H11	1.256	2.839
H12	2.503	0.647

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.4112	2.4410	2.8128	2.4331	1.4046	1.3864	2.4159	3.4204	3.9051	3.4211	2.1527
C2	1.4112		1.4046	2.4331	2.8128	2.4410	2.4159	1.3864	2.1527	3.4211	3.9051	3.4204
C3	2.4410	1.4046		1.4090	2.4437	2.8242	3.7011	2.4216	1.0914	2.1681	3.4347	3.9153
C4	2.8128	2.4331	1.4090		1.4116	2.4437	4.1992	3.7037	2.1885	1.0923	2.1771	3.4432
C5	2.4331	2.8128	2.4437	1.4116		1.4090	3.7037	4.1992	3.4432	2.1771	1.0923	2.1885
C6	1.4046	2.4410	2.8242	2.4437	1.4090		2.4216	3.7011	3.9153	3.4347	2.1681	1.0914
F7	1.3864	2.4159	3.7011	4.1992	3.7037	2.4216		2.7740	4.5667	5.2915	4.5858	2.6396
F8	2.4159	1.3864	2.4216	3.7037	4.1992	3.7011	2.7740		2.6396	4.5858	5.2915	4.5667
H9	3.4204	2.1527	1.0914	2.1885	3.4432	3.9153	4.5667	2.6396		2.5218	4.3518	5.0062
H10	3.9051	3.4211	2.1681	1.0923	2.1771	3.4347	5.2915	4.5858	2.5218		2.5126	4.3518
H11	3.4211	3.9051	3.4347	2.1771	1.0923	2.1681	4.5858	5.2915	4.3518	2.5126		2.5218
H12	2.1527	3.4204	3.9153	3.4432	2.1885	1.0914	2.6396	4.5667	5.0062	4.3518	2.5218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.198	C1	C2	F8	119.437
C1	C6	C5	119.715	C1	C6	H12	118.651
C2	C1	C6	120.198	C2	C1	F7	119.437
C2	C3	C4	119.715	C2	C3	H9	118.651
C3	C2	F8	120.365	C3	C4	C5	120.087
C3	C4	H10	119.647	C4	C3	H9	121.633
C4	C5	C6	120.087	C4	C5	H11	120.266
C5	C4	H10	120.266	C5	C6	H12	121.633
C6	C1	F7	120.365	C6	C5	H11	119.647

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: BLYP/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	0.244
2	C	0.244
3	C	-0.114
4	C	-0.093
5	C	-0.093
6	C	-0.114
7	F	-0.278
8	F	-0.278
9	H	0.129
10	H	0.112
11	H	0.112
12	H	0.129

<r²>	237.706
(<r²>)^1/2	15.418

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)