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	hartrees
Energy at 0K	-429.767706
Energy at 298.15K	-429.772457
Nuclear repulsion energy	348.194383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3267	3086	1.35
2	A₁	3253	3072	3.48
3	A₁	1659	1567	33.39
4	A₁	1560	1473	192.04
5	A₁	1465	1384	5.29
6	A₁	1327	1254	80.30
7	A₁	1178	1113	0.79
8	A₁	1050	992	5.25
9	A₁	779	736	25.12
10	A₁	573	541	2.38
11	A₁	281	266	0.30
12	A₂	947	894	0.00
13	A₂	858	811	0.00
14	A₂	662	625	0.00
15	A₂	561	530	0.00
16	A₂	191	180	0.00
17	B₁	924	873	5.32
18	B₁	775	732	67.21
19	B₁	466	440	1.55
20	B₁	300	284	0.01
21	B₂	3260	3079	0.44
22	B₂	3243	3063	0.54
23	B₂	1658	1566	8.37
24	B₂	1488	1406	13.17
25	B₂	1283	1212	14.62
26	B₂	1234	1166	21.15
27	B₂	1124	1061	18.54
28	B₂	862	814	13.33
29	B₂	553	522	2.68
30	B₂	438	414	0.25

Atom	y (Å)	z (Å)
C1	0.694	-0.537
C2	-0.694	-0.537
C3	-1.395	0.658
C4	-0.697	1.862
C5	0.697	1.862
C6	1.395	0.658
F7	1.344	-1.702
F8	-1.344	-1.702
H9	-2.476	0.623
H10	-1.243	2.796
H11	1.243	2.796
H12	2.476	0.623

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3883	2.4065	2.7733	2.3994	1.3850	1.3335	2.3471	3.3762	3.8556	3.3785	2.1266
C2	1.3883		1.3850	2.3994	2.7733	2.4065	2.3471	1.3335	2.1266	3.3785	3.8556	3.3762
C3	2.4065	1.3850		1.3923	2.4136	2.7896	3.6146	2.3599	1.0822	2.1442	3.3960	3.8714
C4	2.7733	2.3994	1.3923		1.3934	2.4136	4.1067	3.6223	2.1688	1.0823	2.1530	3.4066
C5	2.3994	2.7733	2.4136	1.3934		1.3923	3.6223	4.1067	3.4066	2.1530	1.0823	2.1688
C6	1.3850	2.4065	2.7896	2.4136	1.3923		2.3599	3.6146	3.8714	3.3960	2.1442	1.0822
F7	1.3335	2.3471	3.6146	4.1067	3.6223	2.3599		2.6872	4.4719	5.1889	4.4994	2.5861
F8	2.3471	1.3335	2.3599	3.6223	4.1067	3.6146	2.6872		2.5861	4.4994	5.1889	4.4719
H9	3.3762	2.1266	1.0822	2.1688	3.4066	3.8714	4.4719	2.5861		2.4991	4.3080	4.9530
H10	3.8556	3.3785	2.1442	1.0823	2.1530	3.3960	5.1889	4.4994	2.4991		2.4861	4.3080
H11	3.3785	3.8556	3.3960	2.1530	1.0823	2.1442	4.4994	5.1889	4.3080	2.4861		2.4991
H12	2.1266	3.3762	3.8714	3.4066	2.1688	1.0822	2.5861	4.4719	4.9530	4.3080	2.4991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.391	C1	C2	F8	119.146
C1	C6	C5	119.516	C1	C6	H12	118.557
C2	C1	C6	120.391	C2	C1	F7	119.146
C2	C3	C4	119.516	C2	C3	H9	118.557
C3	C2	F8	120.463	C3	C4	C5	120.093
C3	C4	H10	119.585	C4	C3	H9	121.927
C4	C5	C6	120.093	C4	C5	H11	120.322
C5	C4	H10	120.322	C5	C6	H12	121.927
C6	C1	F7	120.463	C6	C5	H11	119.585

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)