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	hartrees
Energy at 0K	-429.994074
Energy at 298.15K	-429.998769
HF Energy	-428.570599
Nuclear repulsion energy	347.903812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3096	1.14
2	A₁	3239	3082	4.48
3	A₁	1659	1579	31.00
4	A₁	1553	1478	188.25
5	A₁	1466	1395	3.93
6	A₁	1312	1248	113.23
7	A₁	1175	1118	0.92
8	A₁	1048	998	6.51
9	A₁	776	738	30.15
10	A₁	575	547	3.28
11	A₁	286	272	0.25
12	A₂	929	884	0.00
13	A₂	837	797	0.00
14	A₂	621	591	0.00
15	A₂	535	509	0.00
16	A₂	187	178	0.00
17	B₁	926	881	5.05
18	B₁	768	731	81.85
19	B₁	461	439	3.46
20	B₁	295	281	0.03
21	B₂	3248	3090	0.57
22	B₂	3228	3071	0.79
23	B₂	1656	1575	10.26
24	B₂	1489	1417	11.82
25	B₂	1286	1223	6.80
26	B₂	1229	1169	35.76
27	B₂	1122	1068	20.89
28	B₂	863	821	16.23
29	B₂	551	524	3.08
30	B₂	439	418	0.15

Atom	y (Å)	z (Å)
C1	0.695	-0.534
C2	-0.695	-0.534
C3	-1.398	0.658
C4	-0.696	1.862
C5	0.696	1.862
C6	1.398	0.658
F7	1.347	-1.705
F8	-1.347	-1.705
H9	-2.477	0.626
H10	-1.240	2.795
H11	1.240	2.795
H12	2.477	0.626

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3894	2.4079	2.7701	2.3957	1.3837	1.3407	2.3540	3.3771	3.8501	3.3730	2.1264
C2	1.3894		1.3837	2.3957	2.7701	2.4079	2.3540	1.3407	2.1264	3.3730	3.8501	3.3771
C3	2.4079	1.3837		1.3932	2.4150	2.7952	3.6219	2.3636	1.0801	2.1425	3.3946	3.8749
C4	2.7701	2.3957	1.3932		1.3922	2.4150	4.1107	3.6258	2.1680	1.0800	2.1493	3.4055
C5	2.3957	2.7701	2.4150	1.3922		1.3932	3.6258	4.1107	3.4055	2.1493	1.0800	2.1680
C6	1.3837	2.4079	2.7952	2.4150	1.3932		2.3636	3.6219	3.8749	3.3946	2.1425	1.0801
F7	1.3407	2.3540	3.6219	4.1107	3.6258	2.3636		2.6946	4.4787	5.1906	4.5010	2.5901
F8	2.3540	1.3407	2.3636	3.6258	4.1107	3.6219	2.6946		2.5901	4.5010	5.1906	4.4787
H9	3.3771	2.1264	1.0801	2.1680	3.4055	3.8749	4.4787	2.5901		2.4970	4.3039	4.9543
H10	3.8501	3.3730	2.1425	1.0800	2.1493	3.3946	5.1906	4.5010	2.4970		2.4803	4.3039
H11	3.3730	3.8501	3.3946	2.1493	1.0800	2.1425	4.5010	5.1906	4.3039	2.4803		2.4970
H12	2.1264	3.3771	3.8749	3.4055	2.1680	1.0801	2.5901	4.4787	4.9543	4.3039	2.4970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.529	C1	C2	F8	119.128
C1	C6	C5	119.239	C1	C6	H12	118.810
C2	C1	C6	120.529	C2	C1	F7	119.128
C2	C3	C4	119.239	C2	C3	H9	118.810
C3	C2	F8	120.343	C3	C4	C5	120.232
C3	C4	H10	119.518	C4	C3	H9	121.951
C4	C5	C6	120.232	C4	C5	H11	120.250
C5	C4	H10	120.250	C5	C6	H12	121.951
C6	C1	F7	120.343	C6	C5	H11	119.518

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)