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	hartrees
Energy at 0K	-429.591746
Energy at 298.15K	-429.596561
Nuclear repulsion energy	345.612524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3114	1.70
2	A₁	3239	3099	7.81
3	A₁	1699	1626	31.14
4	A₁	1586	1518	184.16
5	A₁	1331	1273	70.16
6	A₁	1323	1265	27.32
7	A₁	1168	1118	0.14
8	A₁	1057	1011	5.60
9	A₁	786	752	33.56
10	A₁	581	556	3.69
11	A₁	285	273	0.37
12	A₂	969	927	0.00
13	A₂	872	834	0.00
14	A₂	687	658	0.00
15	A₂	556	532	0.00
16	A₂	192	183	0.00
17	B₁	953	912	7.06
18	B₁	779	746	73.18
19	B₁	471	450	1.79
20	B₁	303	289	0.05
21	B₂	3250	3109	3.44
22	B₂	3225	3086	0.89
23	B₂	1707	1633	8.22
24	B₂	1512	1446	11.97
25	B₂	1302	1246	12.41
26	B₂	1248	1194	31.70
27	B₂	1127	1078	16.91
28	B₂	862	825	15.40
29	B₂	553	529	3.78
30	B₂	441	422	0.33

Atom	y (Å)	z (Å)
C1	0.698	-0.542
C2	-0.698	-0.542
C3	-1.404	0.661
C4	-0.702	1.877
C5	0.702	1.877
C6	1.404	0.661
F7	1.354	-1.714
F8	-1.354	-1.714
H9	-2.497	0.627
H10	-1.255	2.821
H11	1.255	2.821
H12	2.497	0.627

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3956	2.4217	2.7956	2.4197	1.3953	1.3426	2.3628	3.4019	3.8898	3.4098	2.1456
C2	1.3956		1.3953	2.4197	2.7956	2.4217	2.3628	1.3426	2.1456	3.4098	3.8898	3.4019
C3	2.4217	1.3953		1.4039	2.4320	2.8074	3.6395	2.3752	1.0937	2.1655	3.4261	3.9007
C4	2.7956	2.4197	1.4039		1.4048	2.4320	4.1381	3.6495	2.1871	1.0942	2.1736	3.4349
C5	2.4197	2.7956	2.4320	1.4048		1.4039	3.6495	4.1381	3.4349	2.1736	1.0942	2.1871
C6	1.3953	2.4217	2.8074	2.4320	1.4039		2.3752	3.6395	3.9007	3.4261	2.1655	1.0937
F7	1.3426	2.3628	3.6395	4.1381	3.6495	2.3752		2.7086	4.5065	5.2323	4.5362	2.6044
F8	2.3628	1.3426	2.3752	3.6495	4.1381	3.6395	2.7086		2.6044	4.5362	5.2323	4.5065
H9	3.4019	2.1456	1.0937	2.1871	3.4349	3.9007	4.5065	2.6044		2.5215	4.3469	4.9937
H10	3.8898	3.4098	2.1655	1.0942	2.1736	3.4261	5.2323	4.5362	2.5215		2.5107	4.3469
H11	3.4098	3.8898	3.4261	2.1736	1.0942	2.1655	4.5362	5.2323	4.3469	2.5107		2.5215
H12	2.1456	3.4019	3.9007	3.4349	2.1871	1.0937	2.6044	4.5065	4.9937	4.3469	2.5215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.394	C1	C2	F8	119.272
C1	C6	C5	119.637	C1	C6	H12	118.596
C2	C1	C6	120.394	C2	C1	F7	119.272
C2	C3	C4	119.637	C2	C3	H9	118.596
C3	C2	F8	120.334	C3	C4	C5	119.970
C3	C4	H10	119.679	C4	C3	H9	121.767
C4	C5	C6	119.970	C4	C5	H11	120.351
C5	C4	H10	120.351	C5	C6	H12	121.767
C6	C1	F7	120.334	C6	C5	H11	119.679

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

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

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)