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	hartrees
Energy at 0K	-429.603231
Energy at 298.15K	-429.608012
Nuclear repulsion energy	345.175091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3116	1.88
2	A₁	3231	3100	8.31
3	A₁	1689	1620	27.93
4	A₁	1575	1511	180.91
5	A₁	1320	1267	80.23
6	A₁	1307	1254	19.09
7	A₁	1164	1117	0.14
8	A₁	1051	1009	5.46
9	A₁	779	748	32.77
10	A₁	578	555	3.70
11	A₁	283	271	0.33
12	A₂	965	926	0.00
13	A₂	867	832	0.00
14	A₂	682	654	0.00
15	A₂	554	531	0.00
16	A₂	190	183	0.00
17	B₁	948	910	6.84
18	B₁	776	744	72.33
19	B₁	468	449	1.93
20	B₁	301	289	0.02
21	B₂	3242	3111	3.96
22	B₂	3217	3087	0.94
23	B₂	1695	1626	7.88
24	B₂	1503	1442	11.56
25	B₂	1293	1241	9.82
26	B₂	1237	1187	32.34
27	B₂	1121	1076	17.69
28	B₂	854	819	15.33
29	B₂	550	527	3.67
30	B₂	438	421	0.32

Atom	y (Å)	z (Å)
C1	0.699	-0.543
C2	-0.699	-0.543
C3	-1.405	0.662
C4	-0.703	1.880
C5	0.703	1.880
C6	1.405	0.662
F7	1.356	-1.716
F8	-1.356	-1.716
H9	-2.499	0.628
H10	-1.256	2.824
H11	1.256	2.824
H12	2.499	0.628

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3978	2.4251	2.7993	2.4228	1.3971	1.3452	2.3667	3.4056	3.8939	3.4132	2.1475
C2	1.3978		1.3971	2.4228	2.7993	2.4251	2.3667	1.3452	2.1475	3.4132	3.8939	3.4056
C3	2.4251	1.3971		1.4055	2.4349	2.8109	3.6451	2.3794	1.0941	2.1672	3.4292	3.9045
C4	2.7993	2.4228	1.4055		1.4064	2.4349	4.1444	3.6552	2.1889	1.0946	2.1753	3.4381
C5	2.4228	2.7993	2.4349	1.4064		1.4055	3.6552	4.1444	3.4381	2.1753	1.0946	2.1889
C6	1.3971	2.4251	2.8109	2.4349	1.4055		2.3794	3.6451	3.9045	3.4292	2.1672	1.0941
F7	1.3452	2.3667	3.6451	4.1444	3.6552	2.3794		2.7128	4.5124	5.2389	4.5420	2.6083
F8	2.3667	1.3452	2.3794	3.6552	4.1444	3.6451	2.7128		2.6083	4.5420	5.2389	4.5124
H9	3.4056	2.1475	1.0941	2.1889	3.4381	3.9045	4.5124	2.6083		2.5234	4.3503	4.9979
H10	3.8939	3.4132	2.1672	1.0946	2.1753	3.4292	5.2389	4.5420	2.5234		2.5127	4.3503
H11	3.4132	3.8939	3.4292	2.1753	1.0946	2.1672	4.5420	5.2389	4.3503	2.5127		2.5234
H12	2.1475	3.4056	3.9045	3.4381	2.1889	1.0941	2.6083	4.5124	4.9979	4.3503	2.5234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.378	C1	C2	F8	119.262
C1	C6	C5	119.646	C1	C6	H12	118.591
C2	C1	C6	120.378	C2	C1	F7	119.262
C2	C3	C4	119.646	C2	C3	H9	118.591
C3	C2	F8	120.360	C3	C4	C5	119.976
C3	C4	H10	119.672	C4	C3	H9	121.763
C4	C5	C6	119.976	C4	C5	H11	120.352
C5	C4	H10	120.352	C5	C6	H12	121.763
C6	C1	F7	120.360	C6	C5	H11	119.672

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)