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	hartrees
Energy at 0K	-430.599166
Energy at 298.15K	-430.603696
Nuclear repulsion energy	343.910934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3118	2.59
2	A₁	3127	3103	14.33
3	A₁	1594	1582	16.49
4	A₁	1499	1488	154.45
5	A₁	1330	1320	0.18
6	A₁	1264	1254	116.88
7	A₁	1150	1141	1.24
8	A₁	1018	1010	4.89
9	A₁	753	747	25.86
10	A₁	564	560	3.99
11	A₁	272	270	0.19
12	A₂	930	923	0.00
13	A₂	815	809	0.00
14	A₂	642	637	0.00
15	A₂	540	536	0.00
16	A₂	183	182	0.00
17	B₁	895	888	3.90
18	B₁	738	732	55.39
19	B₁	446	442	1.24
20	B₁	286	284	0.02
21	B₂	3137	3113	8.98
22	B₂	3115	3091	1.62
23	B₂	1593	1580	6.70
24	B₂	1452	1441	7.56
25	B₂	1251	1242	6.47
26	B₂	1191	1181	29.60
27	B₂	1094	1085	18.37
28	B₂	834	828	15.48
29	B₂	531	527	3.01
30	B₂	427	424	0.10

Atom	y (Å)	z (Å)
C1	0.703	-0.542
C2	-0.703	-0.542
C3	-1.409	0.669
C4	-0.704	1.884
C5	0.704	1.884
C6	1.409	0.669
F7	1.366	-1.725
F8	-1.366	-1.725
H9	-2.501	0.637
H10	-1.254	2.827
H11	1.254	2.827
H12	2.501	0.637

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.4069	2.4347	2.8038	2.4252	1.4010	1.3564	2.3838	3.4142	3.8964	3.4136	2.1495
C2	1.4069		1.4010	2.4252	2.8038	2.4347	2.3838	1.3564	2.1495	3.4136	3.8964	3.4142
C3	2.4347	1.4010		1.4051	2.4372	2.8184	3.6649	2.3943	1.0920	2.1642	3.4284	3.9101
C4	2.8038	2.4252	1.4051		1.4070	2.4372	4.1601	3.6692	2.1871	1.0926	2.1733	3.4381
C5	2.4252	2.8038	2.4372	1.4070		1.4051	3.6692	4.1601	3.4381	2.1733	1.0926	2.1871
C6	1.4010	2.4347	2.8184	2.4372	1.4051		2.3943	3.6649	3.9101	3.4284	2.1642	1.0920
F7	1.3564	2.3838	3.6649	4.1601	3.6692	2.3943		2.7315	4.5312	5.2526	4.5539	2.6211
F8	2.3838	1.3564	2.3943	3.6692	4.1601	3.6649	2.7315		2.6211	4.5539	5.2526	4.5312
H9	3.4142	2.1495	1.0920	2.1871	3.4381	3.9101	4.5312	2.6211		2.5198	4.3469	5.0015
H10	3.8964	3.4136	2.1642	1.0926	2.1733	3.4284	5.2526	4.5539	2.5198		2.5086	4.3469
H11	3.4136	3.8964	3.4284	2.1733	1.0926	2.1642	4.5539	5.2526	4.3469	2.5086		2.5198
H12	2.1495	3.4142	3.9101	3.4381	2.1871	1.0920	2.6211	4.5312	5.0015	4.3469	2.5198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.251	C1	C2	F8	119.228
C1	C6	C5	119.600	C1	C6	H12	118.610
C2	C1	C6	120.251	C2	C1	F7	119.228
C2	C3	C4	119.600	C2	C3	H9	118.610
C3	C2	F8	120.521	C3	C4	C5	120.149
C3	C4	H10	119.580	C4	C3	H9	121.790
C4	C5	C6	120.149	C4	C5	H11	120.271
C5	C4	H10	120.271	C5	C6	H12	121.790
C6	C1	F7	120.521	C6	C5	H11	119.580

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	0.280
2	C	0.280
3	C	-0.112
4	C	-0.061
5	C	-0.061
6	C	-0.112
7	F	-0.259
8	F	-0.259
9	H	0.081
10	H	0.069
11	H	0.069
12	H	0.081

<r²>	233.501
(<r²>)^1/2	15.281

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)