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	hartrees
Energy at 0K	-83.559801
Energy at 298.15K
Nuclear repulsion energy	172.946464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3106	3.70
2	A₁	3161	3086	15.31
3	A₁	1601	1562	10.86
4	A₁	1489	1453	99.57
5	A₁	1342	1310	0.00
6	A₁	1228	1198	82.63
7	A₁	1183	1155	4.01
8	A₁	1011	987	10.34
9	A₁	716	699	31.02
10	A₁	558	544	7.52
11	A₁	263	257	0.75
12	A₂	742	724	0.00
13	A₂	701	684	0.00
14	A₂	471	460	0.00
15	A₂	166	162	0.00
16	A₂	779i	761i	0.00
17	B₁	732	714	99.43
18	B₁	704	687	19.87
19	B₁	396	387	2.16
20	B₁	259	253	0.12
21	B₂	3177	3101	6.85
22	B₂	3145	3070	2.93
23	B₂	1587	1549	4.10
24	B₂	1445	1411	8.47
25	B₂	1272	1241	0.00
26	B₂	1158	1131	9.77
27	B₂	1079	1053	37.75
28	B₂	822	803	19.56
29	B₂	517	505	4.64
30	B₂	409	399	0.65

Atom	y (Å)	z (Å)
C1	0.713	-0.544
C2	-0.713	-0.544
C3	-1.431	0.684
C4	-0.715	1.919
C5	0.715	1.919
C6	1.431	0.684
F7	1.405	-1.763
F8	-1.405	-1.763
H9	-2.522	0.652
H10	-1.267	2.862
H11	1.267	2.862
H12	2.522	0.652

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.4270	2.4711	2.8472	2.4629	1.4221	1.4011	2.4438	3.4500	3.9396	3.4505	2.1688
C2	1.4270		1.4221	2.4629	2.8472	2.4711	2.4438	1.4011	2.1688	3.4505	3.9396	3.4500
C3	2.4711	1.4221		1.4276	2.4759	2.8619	3.7452	2.4467	1.0920	2.1842	3.4670	3.9535
C4	2.8472	2.4629	1.4276		1.4299	2.4759	4.2482	3.7456	2.2071	1.0924	2.1944	3.4764
C5	2.4629	2.8472	2.4759	1.4299		1.4276	3.7456	4.2482	3.4764	2.1944	1.0924	2.2071
C6	1.4221	2.4711	2.8619	2.4759	1.4276		2.4467	3.7452	3.9535	3.4670	2.1842	1.0920
F7	1.4011	2.4438	3.7452	4.2482	3.7456	2.4467		2.8095	4.6103	5.3406	4.6266	2.6611
F8	2.4438	1.4011	2.4467	3.7456	4.2482	3.7452	2.8095		2.6611	4.6266	5.3406	4.6103
H9	3.4500	2.1688	1.0920	2.2071	3.4764	3.9535	4.6103	2.6611		2.5416	4.3862	5.0449
H10	3.9396	3.4505	2.1842	1.0924	2.1944	3.4670	5.3406	4.6266	2.5416		2.5330	4.3862
H11	3.4505	3.9396	3.4670	2.1944	1.0924	2.1842	4.6266	5.3406	4.3862	2.5330		2.5416
H12	2.1688	3.4500	3.9535	3.4764	2.2071	1.0920	2.6611	4.6103	5.0449	4.3862	2.5416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.296	C1	C2	F8	119.564
C1	C6	C5	119.601	C1	C6	H12	118.638
C2	C1	C6	120.296	C2	C1	F7	119.564
C2	C3	C4	119.601	C2	C3	H9	118.638
C3	C2	F8	120.139	C3	C4	C5	120.102
C3	C4	H10	119.574	C4	C3	H9	121.761
C4	C5	C6	120.102	C4	C5	H11	120.324
C5	C4	H10	120.324	C5	C6	H12	121.761
C6	C1	F7	120.139	C6	C5	H11	119.574

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)