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	hartrees
Energy at 0K	-429.589497
Energy at 298.15K	-429.593836
Nuclear repulsion energy	346.268215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3293	3093	1.95
2	A₁	3280	3080	6.16
3	A₁	1680	1578	25.04
4	A₁	1565	1470	174.14
5	A₁	1471	1382	2.25
6	A₁	1311	1231	125.11
7	A₁	1197	1124	1.41
8	A₁	1060	996	8.02
9	A₁	775	728	35.80
10	A₁	579	544	4.40
11	A₁	283	266	0.30
12	A₂	891	837	0.00
13	A₂	813	764	0.00
14	A₂	535	503	0.00
15	A₂	310	291	0.00
16	A₂	172	162	0.00
17	B₁	888	834	4.33
18	B₁	756	710	102.55
19	B₁	440	413	2.67
20	B₁	286	269	0.01
21	B₂	3288	3088	1.29
22	B₂	3269	3070	1.13
23	B₂	1675	1573	10.26
24	B₂	1509	1418	10.89
25	B₂	1302	1223	2.55
26	B₂	1226	1151	35.19
27	B₂	1132	1063	30.83
28	B₂	861	809	16.99
29	B₂	548	515	3.63
30	B₂	438	412	0.21

Atom	y (Å)	z (Å)
C1	0.695	-0.533
C2	-0.695	-0.533
C3	-1.399	0.663
C4	-0.699	1.869
C5	0.699	1.869
C6	1.399	0.663
F7	1.356	-1.713
F8	-1.356	-1.713
H9	-2.479	0.629
H10	-1.244	2.801
H11	1.244	2.801
H12	2.479	0.629

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3905	2.4118	2.7772	2.4021	1.3877	1.3523	2.3663	3.3803	3.8573	3.3793	2.1289
C2	1.3905		1.3877	2.4021	2.7772	2.4118	2.3663	1.3523	2.1289	3.3793	3.8573	3.3803
C3	2.4118	1.3877		1.3949	2.4197	2.7983	3.6380	2.3764	1.0802	2.1442	3.3997	3.8781
C4	2.7772	2.4021	1.3949		1.3970	2.4197	4.1294	3.6420	2.1694	1.0801	2.1544	3.4106
C5	2.4021	2.7772	2.4197	1.3970		1.3949	3.6420	4.1294	3.4106	2.1544	1.0801	2.1694
C6	1.3877	2.4118	2.7983	2.4197	1.3949		2.3764	3.6380	3.8781	3.3997	2.1442	1.0802
F7	1.3523	2.3663	3.6380	4.1294	3.6420	2.3764		2.7117	4.4935	5.2095	4.5160	2.5978
F8	2.3663	1.3523	2.3764	3.6420	4.1294	3.6380	2.7117		2.5978	4.5160	5.2095	4.4935
H9	3.3803	2.1289	1.0802	2.1694	3.4106	3.8781	4.4935	2.5978		2.4987	4.3099	4.9576
H10	3.8573	3.3793	2.1442	1.0801	2.1544	3.3997	5.2095	4.5160	2.4987		2.4874	4.3099
H11	3.3793	3.8573	3.3997	2.1544	1.0801	2.1442	4.5160	5.2095	4.3099	2.4874		2.4987
H12	2.1289	3.3803	3.8781	3.4106	2.1694	1.0802	2.5978	4.4935	4.9576	4.3099	2.4987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.479	C1	C2	F8	119.239
C1	C6	C5	119.371	C1	C6	H12	118.704
C2	C1	C6	120.479	C2	C1	F7	119.239
C2	C3	C4	119.371	C2	C3	H9	118.704
C3	C2	F8	120.282	C3	C4	C5	120.150
C3	C4	H10	119.534	C4	C3	H9	121.925
C4	C5	C6	120.150	C4	C5	H11	120.316
C5	C4	H10	120.316	C5	C6	H12	121.925
C6	C1	F7	120.282	C6	C5	H11	119.534

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)