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	hartrees
Energy at 0K	-424.811920
Energy at 298.15K	-424.815900
Nuclear repulsion energy	336.750234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3370	3118	3.75
2	A₁	3349	3099	0.00
3	A₁	1618	1497	0.10
4	A₁	1558	1441	102.35
5	A₁	1349	1248	34.87
6	A₁	1278	1183	5.57
7	A₁	1208	1118	0.19
8	A₁	1060	980	0.29
9	A₁	755	699	1.35
10	A₁	573	530	0.67
11	A₁	250	231	0.13
12	A₂	983	909	0.00
13	A₂	849	785	0.00
14	A₂	677	627	0.00
15	A₂	534	494	0.00
16	A₂	172	160	0.00
17	B₁	935	865	2.70
18	B₁	757	700	35.56
19	B₁	439	406	0.81
20	B₁	279	258	0.17
21	B₂	3358	3107	6.57
22	B₂	3343	3093	0.64
23	B₂	1660	1536	9.61
24	B₂	1522	1409	18.60
25	B₂	1347	1247	7.75
26	B₂	1252	1158	1.69
27	B₂	1138	1053	4.26
28	B₂	868	803	3.77
29	B₂	522	483	1.30
30	B₂	421	389	0.22

Atom	y (Å)	z (Å)
C1	0.733	-0.563
C2	-0.733	-0.563
C3	-1.434	0.694
C4	-0.713	1.921
C5	0.713	1.921
C6	1.434	0.694
F7	1.423	-1.764
F8	-1.423	-1.764
H9	-2.541	0.684
H10	-1.265	2.879
H11	1.265	2.879
H12	2.541	0.684

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.4665	2.5057	2.8743	2.4840	1.4393	1.3848	2.4681	3.5034	3.9802	3.4829	2.1960
C2	1.4665		1.4393	2.4840	2.8743	2.5057	2.4681	1.3848	2.1960	3.4829	3.9802	3.5034
C3	2.5057	1.4393		1.4233	2.4733	2.8689	3.7690	2.4577	1.1062	2.1916	3.4733	3.9751
C4	2.8743	2.4840	1.4233		1.4262	2.4733	4.2591	3.7525	2.2065	1.1059	2.1983	3.4807
C5	2.4840	2.8743	2.4733	1.4262		1.4233	3.7525	4.2591	3.4807	2.1983	1.1059	2.2065
C6	1.4393	2.5057	2.8689	2.4733	1.4233		2.4577	3.7690	3.9751	3.4733	2.1916	1.1062
F7	1.3848	2.4681	3.7690	4.2591	3.7525	2.4577		2.8461	4.6588	5.3650	4.6454	2.6912
F8	2.4681	1.3848	2.4577	3.7525	4.2591	3.7690	2.8461		2.6912	4.6454	5.3650	4.6588
H9	3.5034	2.1960	1.1062	2.2065	3.4807	3.9751	4.6588	2.6912		2.5381	4.3934	5.0812
H10	3.9802	3.4829	2.1916	1.1059	2.1983	3.4733	5.3650	4.6454	2.5381		2.5310	4.3934
H11	3.4829	3.9802	3.4733	2.1983	1.1059	2.1916	4.6454	5.3650	4.3934	2.5310		2.5381
H12	2.1960	3.5034	3.9751	3.4807	2.2065	1.1062	2.6912	4.6588	5.0812	4.3934	2.5381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.157	C1	C2	F8	119.875
C1	C6	C5	120.391	C1	C6	H12	118.664
C2	C1	C6	119.157	C2	C1	F7	119.875
C2	C3	C4	120.391	C2	C3	H9	118.664
C3	C2	F8	120.968	C3	C4	C5	120.452
C3	C4	H10	119.581	C4	C3	H9	120.945
C4	C5	C6	120.452	C4	C5	H11	119.966
C5	C4	H10	119.966	C5	C6	H12	120.945
C6	C1	F7	120.968	C6	C5	H11	119.581

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: BLYP/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	0.059
2	C	0.059
3	C	-0.099
4	C	-0.083
5	C	-0.083
6	C	-0.099
7	F	-0.034
8	F	-0.034
9	H	0.080
10	H	0.077
11	H	0.077
12	H	0.080

<r²>	240.525
(<r²>)^1/2	15.509

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)