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	hartrees
Energy at 0K	-430.554130
Energy at 298.15K	-430.558875
Nuclear repulsion energy	347.456697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3101	1.51
2	A₁	3221	3087	9.82
3	A₁	1674	1605	26.09
4	A₁	1567	1502	194.48
5	A₁	1377	1320	1.47
6	A₁	1323	1268	100.23
7	A₁	1178	1129	0.76
8	A₁	1055	1011	5.85
9	A₁	786	753	28.49
10	A₁	580	556	3.29
11	A₁	280	268	0.24
12	A₂	972	932	0.00
13	A₂	850	815	0.00
14	A₂	678	650	0.00
15	A₂	561	538	0.00
16	A₂	190	182	0.00
17	B₁	937	898	5.77
18	B₁	765	733	75.13
19	B₁	463	443	1.66
20	B₁	298	286	0.01
21	B₂	3231	3097	3.86
22	B₂	3209	3075	1.22
23	B₂	1677	1607	7.98
24	B₂	1503	1440	11.95
25	B₂	1296	1242	12.10
26	B₂	1243	1191	29.80
27	B₂	1129	1082	18.03
28	B₂	860	824	14.60
29	B₂	551	528	3.01
30	B₂	441	423	0.16

Atom	y (Å)	z (Å)
C1	0.695	-0.536
C2	-0.695	-0.536
C3	-1.396	0.659
C4	-0.697	1.863
C5	0.697	1.863
C6	1.396	0.659
F7	1.349	-1.705
F8	-1.349	-1.705
H9	-2.480	0.627
H10	-1.244	2.800
H11	1.244	2.800
H12	2.480	0.627

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3896	2.4082	2.7740	2.3997	1.3859	1.3395	2.3546	3.3809	3.8591	3.3815	2.1305
C2	1.3896		1.3859	2.3997	2.7740	2.4082	2.3546	1.3395	2.1305	3.3815	3.8591	3.3809
C3	2.4082	1.3859		1.3921	2.4142	2.7912	3.6228	2.3648	1.0845	2.1462	3.3989	3.8754
C4	2.7740	2.3997	1.3921		1.3939	2.4142	4.1134	3.6275	2.1695	1.0850	2.1555	3.4087
C5	2.3997	2.7740	2.4142	1.3939		1.3921	3.6275	4.1134	3.4087	2.1555	1.0850	2.1695
C6	1.3859	2.4082	2.7912	2.4142	1.3921		2.3648	3.6228	3.8754	3.3989	2.1462	1.0845
F7	1.3395	2.3546	3.6228	4.1134	3.6275	2.3648		2.6985	4.4832	5.1985	4.5065	2.5915
F8	2.3546	1.3395	2.3648	3.6275	4.1134	3.6228	2.6985		2.5915	4.5065	5.1985	4.4832
H9	3.3809	2.1305	1.0845	2.1695	3.4087	3.8754	4.4832	2.5915		2.4998	4.3117	4.9593
H10	3.8591	3.3815	2.1462	1.0850	2.1555	3.3989	5.1985	4.5065	2.4998		2.4886	4.3117
H11	3.3815	3.8591	3.3989	2.1555	1.0850	2.1462	4.5065	5.1985	4.3117	2.4886		2.4998
H12	2.1305	3.3809	3.8754	3.4087	2.1695	1.0845	2.5915	4.4832	4.9593	4.3117	2.4998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.376	C1	C2	F8	119.247
C1	C6	C5	119.499	C1	C6	H12	118.667
C2	C1	C6	120.376	C2	C1	F7	119.247
C2	C3	C4	119.499	C2	C3	H9	118.667
C3	C2	F8	120.377	C3	C4	C5	120.125
C3	C4	H10	119.578	C4	C3	H9	121.834
C4	C5	C6	120.125	C4	C5	H11	120.297
C5	C4	H10	120.297	C5	C6	H12	121.834
C6	C1	F7	120.377	C6	C5	H11	119.578

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: B3PW91/6-31G**

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	0.306
2	C	0.306
3	C	-0.181
4	C	-0.124
5	C	-0.124
6	C	-0.181
7	F	-0.282
8	F	-0.282
9	H	0.148
10	H	0.133
11	H	0.133
12	H	0.148

<r²>	229.113
(<r²>)^1/2	15.136

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)