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	hartrees
Energy at 0K	-430.474061
Energy at 298.15K	-430.478861
Nuclear repulsion energy	345.531538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3130	1.11
2	A₁	3263	3112	9.79
3	A₁	1696	1617	12.61
4	A₁	1581	1507	131.76
5	A₁	1402	1337	0.01
6	A₁	1325	1263	69.84
7	A₁	1217	1160	0.72
8	A₁	1073	1023	6.16
9	A₁	780	744	29.83
10	A₁	586	559	4.68
11	A₁	263	251	0.57
12	A₂	1027	979	0.00
13	A₂	891	850	0.00
14	A₂	710	677	0.00
15	A₂	568	542	0.00
16	A₂	191	182	0.00
17	B₁	987	941	7.11
18	B₁	795	759	102.60
19	B₁	472	450	2.33
20	B₁	296	282	0.23
21	B₂	3276	3124	1.97
22	B₂	3249	3098	1.93
23	B₂	1695	1616	3.49
24	B₂	1522	1452	10.23
25	B₂	1320	1258	1.22
26	B₂	1249	1191	24.60
27	B₂	1148	1095	20.77
28	B₂	870	830	14.01
29	B₂	545	520	3.67
30	B₂	434	414	0.53

Atom	y (Å)	z (Å)
C1	0.693	-0.528
C2	-0.693	-0.528
C3	-1.393	0.666
C4	-0.697	1.869
C5	0.697	1.869
C6	1.393	0.666
F7	1.365	-1.720
F8	-1.365	-1.720
H9	-2.473	0.633
H10	-1.242	2.803
H11	1.242	2.803
H12	2.473	0.633

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3869	2.4038	2.7711	2.3972	1.3833	1.3686	2.3790	3.3726	3.8521	3.3754	2.1248
C2	1.3869		1.3833	2.3972	2.7711	2.4038	2.3790	1.3686	2.1248	3.3754	3.8521	3.3726
C3	2.4038	1.3833		1.3908	2.4118	2.7864	3.6470	2.3858	1.0804	2.1425	3.3931	3.8664
C4	2.7711	2.3972	1.3908		1.3934	2.4118	4.1396	3.6513	2.1642	1.0811	2.1519	3.4024
C5	2.3972	2.7711	2.4118	1.3934		1.3908	3.6513	4.1396	3.4024	2.1519	1.0811	2.1642
C6	1.3833	2.4038	2.7864	2.4118	1.3908		2.3858	3.6470	3.8664	3.3931	2.1425	1.0804
F7	1.3686	2.3790	3.6470	4.1396	3.6513	2.3858		2.7304	4.5023	5.2206	4.5246	2.6010
F8	2.3790	1.3686	2.3858	3.6513	4.1396	3.6470	2.7304		2.6010	4.5246	5.2206	4.5023
H9	3.3726	2.1248	1.0804	2.1642	3.4024	3.8664	4.5023	2.6010		2.4945	4.3024	4.9462
H10	3.8521	3.3754	2.1425	1.0811	2.1519	3.3931	5.2206	4.5246	2.4945		2.4844	4.3024
H11	3.3754	3.8521	3.3931	2.1519	1.0811	2.1425	4.5246	5.2206	4.3024	2.4844		2.4945
H12	2.1248	3.3726	3.8664	3.4024	2.1642	1.0804	2.6010	4.5023	4.9462	4.3024	2.4945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.387	C1	C2	F8	119.397
C1	C6	C5	119.561	C1	C6	H12	118.669
C2	C1	C6	120.387	C2	C1	F7	119.397
C2	C3	C4	119.561	C2	C3	H9	118.669
C3	C2	F8	120.216	C3	C4	C5	120.051
C3	C4	H10	119.645	C4	C3	H9	121.770
C4	C5	C6	120.051	C4	C5	H11	120.304
C5	C4	H10	120.304	C5	C6	H12	121.770
C6	C1	F7	120.216	C6	C5	H11	119.645

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: B1B95/6-31G

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	0.273
2	C	0.273
3	C	-0.168
4	C	-0.152
5	C	-0.152
6	C	-0.168
7	F	-0.322
8	F	-0.322
9	H	0.194
10	H	0.175
11	H	0.175
12	H	0.194

<r²>	231.916
(<r²>)^1/2	15.229

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)