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	hartrees
Energy at 0K	-429.566450
Energy at 298.15K	-429.571190
Nuclear repulsion energy	345.177160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3105	1.57
2	A₁	3245	3091	5.90
3	A₁	1669	1590	29.68
4	A₁	1558	1484	184.31
5	A₁	1479	1409	9.20
6	A₁	1311	1249	96.09
7	A₁	1164	1108	0.81
8	A₁	1047	997	6.14
9	A₁	774	737	32.09
10	A₁	573	546	3.35
11	A₁	281	268	0.31
12	A₂	946	901	0.00
13	A₂	852	812	0.00
14	A₂	667	635	0.00
15	A₂	549	523	0.00
16	A₂	188	179	0.00
17	B₁	931	887	7.05
18	B₁	768	732	74.68
19	B₁	466	444	2.14
20	B₁	299	284	0.00
21	B₂	3254	3100	1.74
22	B₂	3233	3079	0.70
23	B₂	1673	1594	8.65
24	B₂	1488	1417	11.49
25	B₂	1283	1222	9.84
26	B₂	1230	1171	31.09
27	B₂	1116	1063	20.25
28	B₂	855	815	16.30
29	B₂	548	522	3.11
30	B₂	435	415	0.25

Atom	y (Å)	z (Å)
C1	0.700	-0.543
C2	-0.700	-0.543
C3	-1.405	0.663
C4	-0.703	1.880
C5	0.703	1.880
C6	1.405	0.663
F7	1.357	-1.717
F8	-1.357	-1.717
H9	-2.497	0.628
H10	-1.256	2.824
H11	1.256	2.824
H12	2.497	0.628

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3996	2.4255	2.7999	2.4233	1.3969	1.3455	2.3684	3.4049	3.8936	3.4124	2.1454
C2	1.3996		1.3969	2.4233	2.7999	2.4255	2.3684	1.3455	2.1454	3.4124	3.8936	3.4049
C3	2.4255	1.3969		1.4050	2.4336	2.8091	3.6458	2.3805	1.0933	2.1659	3.4272	3.9020
C4	2.7999	2.4233	1.4050		1.4056	2.4336	4.1453	3.6562	2.1881	1.0937	2.1740	3.4363
C5	2.4233	2.7999	2.4336	1.4056		1.4050	3.6562	4.1453	3.4363	2.1740	1.0937	2.1881
C6	1.3969	2.4255	2.8091	2.4336	1.4050		2.3805	3.6458	3.9020	3.4272	2.1659	1.0933
F7	1.3455	2.3684	3.6458	4.1453	3.6562	2.3805		2.7144	4.5119	5.2389	4.5419	2.6076
F8	2.3684	1.3455	2.3805	3.6562	4.1453	3.6458	2.7144		2.6076	4.5419	5.2389	4.5119
H9	3.4049	2.1454	1.0933	2.1881	3.4363	3.9020	4.5119	2.6076		2.5223	4.3481	4.9946
H10	3.8936	3.4124	2.1659	1.0937	2.1740	3.4272	5.2389	4.5419	2.5223		2.5115	4.3481
H11	3.4124	3.8936	3.4272	2.1740	1.0937	2.1659	4.5419	5.2389	4.3481	2.5115		2.5223
H12	2.1454	3.4049	3.9020	3.4363	2.1881	1.0933	2.6076	4.5119	4.9946	4.3481	2.5223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.298	C1	C2	F8	119.249
C1	C6	C5	119.737	C1	C6	H12	118.472
C2	C1	C6	120.298	C2	C1	F7	119.249
C2	C3	C4	119.737	C2	C3	H9	118.472
C3	C2	F8	120.453	C3	C4	C5	119.965
C3	C4	H10	119.665	C4	C3	H9	121.791
C4	C5	C6	119.965	C4	C5	H11	120.370
C5	C4	H10	120.370	C5	C6	H12	121.791
C6	C1	F7	120.453	C6	C5	H11	119.665

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)