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	hartrees
Energy at 0K	-423.191369
Energy at 298.15K	-423.195736
Nuclear repulsion energy	339.352004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3533	3140	3.60
2	A₁	3517	3127	0.24
3	A₁	1705	1516	3.14
4	A₁	1649	1466	88.14
5	A₁	1418	1261	22.22
6	A₁	1275	1133	2.62
7	A₁	1202	1069	3.42
8	A₁	1103	981	0.00
9	A₁	798	709	1.47
10	A₁	601	534	0.66
11	A₁	263	234	0.38
12	A₂	1065	947	0.00
13	A₂	934	830	0.00
14	A₂	751	668	0.00
15	A₂	575	511	0.00
16	A₂	195	173	0.00
17	B₁	1020	907	2.58
18	B₁	819	728	26.94
19	B₁	478	425	0.02
20	B₁	301	268	0.17
21	B₂	3524	3132	9.51
22	B₂	3511	3121	0.39
23	B₂	1751	1556	8.63
24	B₂	1593	1416	14.51
25	B₂	1423	1265	7.70
26	B₂	1320	1173	1.84
27	B₂	1189	1056	1.33
28	B₂	914	812	2.67
29	B₂	552	491	2.41
30	B₂	439	390	0.94

Atom	y (Å)	z (Å)
C1	0.723	-0.558
C2	-0.723	-0.558
C3	-1.425	0.685
C4	-0.710	1.911
C5	0.710	1.911
C6	1.425	0.685
F7	1.407	-1.751
F8	-1.407	-1.751
H9	-2.524	0.669
H10	-1.261	2.863
H11	1.261	2.863
H12	2.524	0.669

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.4455	2.4813	2.8548	2.4692	1.4278	1.3753	2.4411	3.4714	3.9547	3.4633	2.1800
C2	1.4455		1.4278	2.4692	2.8548	2.4813	2.4411	1.3753	2.1800	3.4633	3.9547	3.4714
C3	2.4813	1.4278		1.4188	2.4615	2.8491	3.7355	2.4366	1.1000	2.1839	3.4576	3.9490
C4	2.8548	2.4692	1.4188		1.4201	2.4615	4.2301	3.7280	2.1987	1.0999	2.1889	3.4647
C5	2.4692	2.8548	2.4615	1.4201		1.4188	3.7280	4.2301	3.4647	2.1889	1.0999	2.1987
C6	1.4278	2.4813	2.8491	2.4615	1.4188		2.4366	3.7355	3.9490	3.4576	2.1839	1.1000
F7	1.3753	2.4411	3.7355	4.2301	3.7280	2.4366		2.8138	4.6167	5.3300	4.6166	2.6659
F8	2.4411	1.3753	2.4366	3.7280	4.2301	3.7355	2.8138		2.6659	4.6166	5.3300	4.6167
H9	3.4714	2.1800	1.1000	2.1987	3.4647	3.9490	4.6167	2.6659		2.5317	4.3752	5.0489
H10	3.9547	3.4633	2.1839	1.0999	2.1889	3.4576	5.3300	4.6166	2.5317		2.5219	4.3752
H11	3.4633	3.9547	3.4576	2.1889	1.0999	2.1839	4.6166	5.3300	4.3752	2.5219		2.5317
H12	2.1800	3.4714	3.9490	3.4647	2.1987	1.1000	2.6659	4.6167	5.0489	4.3752	2.5317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.442	C1	C2	F8	119.833
C1	C6	C5	120.319	C1	C6	H12	118.602
C2	C1	C6	119.442	C2	C1	F7	119.833
C2	C3	C4	120.319	C2	C3	H9	118.602
C3	C2	F8	120.725	C3	C4	C5	120.239
C3	C4	H10	119.704	C4	C3	H9	121.079
C4	C5	C6	120.239	C4	C5	H11	120.057
C5	C4	H10	120.057	C5	C6	H12	121.079
C6	C1	F7	120.725	C6	C5	H11	119.704

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2=FULL/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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All results from a given calculation for C6H4F2 (orthodifluorobenzene)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)