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	hartrees
Energy at 0K	-429.585211
Energy at 298.15K	-429.589676
Nuclear repulsion energy	345.933612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3104	2.20
2	A₁	3268	3090	8.92
3	A₁	1697	1604	25.10
4	A₁	1580	1494	165.26
5	A₁	1319	1247	102.48
6	A₁	1312	1240	19.95
7	A₁	1192	1127	0.41
8	A₁	1063	1005	6.95
9	A₁	780	738	35.75
10	A₁	582	550	4.61
11	A₁	285	269	0.33
12	A₂	909	860	0.00
13	A₂	824	779	0.00
14	A₂	535	505	0.00
15	A₂	398	376	0.00
16	A₂	180	170	0.00
17	B₁	905	855	4.26
18	B₁	762	720	98.25
19	B₁	441	417	2.40
20	B₁	287	272	0.00
21	B₂	3278	3099	3.45
22	B₂	3255	3078	1.40
23	B₂	1693	1601	9.63
24	B₂	1522	1439	11.05
25	B₂	1311	1239	3.18
26	B₂	1234	1166	37.33
27	B₂	1137	1075	25.60
28	B₂	860	813	15.94
29	B₂	549	519	4.21
30	B₂	440	416	0.29

Atom	y (Å)	z (Å)
C1	0.695	-0.534
C2	-0.695	-0.534
C3	-1.402	0.663
C4	-0.700	1.871
C5	0.700	1.871
C6	1.402	0.663
F7	1.356	-1.714
F8	-1.356	-1.714
H9	-2.482	0.630
H10	-1.245	2.804
H11	1.245	2.804
H12	2.482	0.630

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3904	2.4143	2.7799	2.4046	1.3897	1.3529	2.3668	3.3839	3.8611	3.3831	2.1326
C2	1.3904		1.3897	2.4046	2.7799	2.4143	2.3668	1.3529	2.1326	3.3831	3.8611	3.3839
C3	2.4143	1.3897		1.3970	2.4237	2.8032	3.6410	2.3776	1.0811	2.1471	3.4046	3.8839
C4	2.7799	2.4046	1.3970		1.3994	2.4237	4.1327	3.6446	2.1718	1.0812	2.1573	3.4152
C5	2.4046	2.7799	2.4237	1.3994		1.3970	3.6446	4.1327	3.4152	2.1573	1.0812	2.1718
C6	1.3897	2.4143	2.8032	2.4237	1.3970		2.3776	3.6410	3.8839	3.4046	2.1471	1.0811
F7	1.3529	2.3668	3.6410	4.1327	3.6446	2.3776		2.7125	4.4977	5.2139	4.5199	2.6007
F8	2.3668	1.3529	2.3776	3.6446	4.1327	3.6410	2.7125		2.6007	4.5199	5.2139	4.4977
H9	3.3839	2.1326	1.0811	2.1718	3.4152	3.8839	4.4977	2.6007		2.5015	4.3152	4.9644
H10	3.8611	3.3831	2.1471	1.0812	2.1573	3.4046	5.2139	4.5199	2.5015		2.4904	4.3152
H11	3.3831	3.8611	3.4046	2.1573	1.0812	2.1471	4.5199	5.2139	4.3152	2.4904		2.5015
H12	2.1326	3.3839	3.8839	3.4152	2.1718	1.0811	2.6007	4.4977	4.9644	4.3152	2.5015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.552	C1	C2	F8	119.251
C1	C6	C5	119.287	C1	C6	H12	118.811
C2	C1	C6	120.552	C2	C1	F7	119.251
C2	C3	C4	119.287	C2	C3	H9	118.811
C3	C2	F8	120.197	C3	C4	C5	120.161
C3	C4	H10	119.539	C4	C3	H9	121.902
C4	C5	C6	120.161	C4	C5	H11	120.300
C5	C4	H10	120.300	C5	C6	H12	121.902
C6	C1	F7	120.197	C6	C5	H11	119.539

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: QCISD/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: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)