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	hartrees
Energy at 0K	-430.541964
Energy at 298.15K	-430.546756
HF Energy	-430.541964
Nuclear repulsion energy	348.114387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3075	1.11
2	A₁	3235	3063	6.24
3	A₁	1711	1621	27.54
4	A₁	1600	1515	205.49
5	A₁	1360	1288	2.17
6	A₁	1346	1275	89.23
7	A₁	1181	1118	0.31
8	A₁	1068	1011	4.73
9	A₁	802	759	29.44
10	A₁	582	551	3.23
11	A₁	281	266	0.26
12	A₂	993	941	0.00
13	A₂	869	823	0.00
14	A₂	693	657	0.00
15	A₂	568	538	0.00
16	A₂	196	185	0.00
17	B₁	955	905	5.85
18	B₁	776	735	77.86
19	B₁	466	442	1.64
20	B₁	305	288	0.03
21	B₂	3242	3071	1.28
22	B₂	3224	3053	0.87
23	B₂	1717	1626	7.78
24	B₂	1525	1444	13.64
25	B₂	1314	1244	16.84
26	B₂	1260	1193	25.09
27	B₂	1137	1076	15.09
28	B₂	864	818	13.52
29	B₂	555	526	3.58
30	B₂	444	420	0.29

Atom	y (Å)	z (Å)
C1	0.692	-0.534
C2	-0.692	-0.534
C3	-1.394	0.657
C4	-0.696	1.860
C5	0.696	1.860
C6	1.394	0.657
F7	1.342	-1.702
F8	-1.342	-1.702
H9	-2.477	0.622
H10	-1.243	2.796
H11	1.243	2.796
H12	2.477	0.622

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3848	2.4024	2.7679	2.3944	1.3826	1.3364	2.3457	3.3736	3.8521	3.3757	2.1262
C2	1.3848		1.3826	2.3944	2.7679	2.4024	2.3457	1.3364	2.1262	3.3757	3.8521	3.3736
C3	2.4024	1.3826		1.3906	2.4114	2.7875	3.6126	2.3600	1.0839	2.1442	3.3955	3.8710
C4	2.7679	2.3944	1.3906		1.3924	2.4114	4.1042	3.6204	2.1693	1.0841	2.1536	3.4064
C5	2.3944	2.7679	2.4114	1.3924		1.3906	3.6204	4.1042	3.4064	2.1536	1.0841	2.1693
C6	1.3826	2.4024	2.7875	2.4114	1.3906		2.3600	3.6126	3.8710	3.3955	2.1442	1.0839
F7	1.3364	2.3457	3.6126	4.1042	3.6204	2.3600		2.6839	4.4703	5.1883	4.4994	2.5861
F8	2.3457	1.3364	2.3600	3.6204	4.1042	3.6126	2.6839		2.5861	4.4994	5.1883	4.4703
H9	3.3736	2.1262	1.0839	2.1693	3.4064	3.8710	4.4703	2.5861		2.5003	4.3093	4.9541
H10	3.8521	3.3757	2.1442	1.0841	2.1536	3.3955	5.1883	4.4994	2.5003		2.4867	4.3093
H11	3.3757	3.8521	3.3955	2.1536	1.0841	2.1442	4.4994	5.1883	4.3093	2.4867		2.5003
H12	2.1262	3.3736	3.8710	3.4064	2.1693	1.0839	2.5861	4.4703	4.9541	4.3093	2.5003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.484	C1	C2	F8	119.081
C1	C6	C5	119.407	C1	C6	H12	118.593
C2	C1	C6	120.484	C2	C1	F7	119.081
C2	C3	C4	119.407	C2	C3	H9	118.593
C3	C2	F8	120.435	C3	C4	C5	120.109
C3	C4	H10	119.582	C4	C3	H9	122.000
C4	C5	C6	120.109	C4	C5	H11	120.310
C5	C4	H10	120.310	C5	C6	H12	122.000
C6	C1	F7	120.435	C6	C5	H11	119.582

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: M06-2X/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	0.314
2	C	0.314
3	C	-0.228
4	C	-0.164
5	C	-0.164
6	C	-0.228
7	F	-0.289
8	F	-0.289
9	H	0.191
10	H	0.176
11	H	0.176
12	H	0.191

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)