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	hartrees
Energy at 0K	-429.758117
Energy at 298.15K
HF Energy	-428.546106
Nuclear repulsion energy	347.520396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3091	1.95
2	A₁	3247	3078	5.37
3	A₁	1659	1572	28.42
4	A₁	1553	1472	181.84
5	A₁	1438	1363	3.07
6	A₁	1311	1242	122.59
7	A₁	1186	1124	1.00
8	A₁	1054	999	7.00
9	A₁	775	735	32.94
10	A₁	579	549	3.64
11	A₁	290	275	0.32
12	A₂	738	699	0.00
13	A₂	685	649	0.00
14	A₂	463	439	0.00
15	A₂	144	136	0.00
16	A₂	1514i	1435i	0.00
17	B₁	705	668	95.56
18	B₁	656	622	0.18
19	B₁	358	339	1.50
20	B₁	182	173	0.00
21	B₂	3255	3085	1.32
22	B₂	3235	3067	0.88
23	B₂	1658	1571	9.86
24	B₂	1496	1418	11.72
25	B₂	1295	1227	3.70
26	B₂	1226	1162	37.56
27	B₂	1126	1067	28.20
28	B₂	856	812	15.82
29	B₂	554	525	3.36
30	B₂	441	418	0.22

Atom	y (Å)	z (Å)
C1	0.694	-0.535
C2	-0.694	-0.535
C3	-1.395	0.659
C4	-0.696	1.862
C5	0.696	1.862
C6	1.395	0.659
F7	1.352	-1.705
F8	-1.352	-1.705
H9	-2.476	0.627
H10	-1.242	2.796
H11	1.242	2.796
H12	2.476	0.627

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		1.3882	2.4059	2.7709	2.3968	1.3843	1.3426	2.3573	3.3757	3.8522	3.3751	2.1266
C2	1.3882		1.3843	2.3968	2.7709	2.4059	2.3573	1.3426	2.1266	3.3751	3.8522	3.3757
C3	2.4059	1.3843		1.3909	2.4123	2.7894	3.6242	2.3645	1.0814	2.1419	3.3936	3.8704
C4	2.7709	2.3968	1.3909		1.3926	2.4123	4.1133	3.6267	2.1661	1.0814	2.1514	3.4040
C5	2.3968	2.7709	2.4123	1.3926		1.3909	3.6267	4.1133	3.4040	2.1514	1.0814	2.1661
C6	1.3843	2.4059	2.7894	2.4123	1.3909		2.3645	3.6242	3.8704	3.3936	2.1419	1.0814
F7	1.3426	2.3573	3.6242	4.1133	3.6267	2.3645		2.7045	4.4820	5.1947	4.5019	2.5880
F8	2.3573	1.3426	2.3645	3.6267	4.1133	3.6242	2.7045		2.5880	4.5019	5.1947	4.4820
H9	3.3757	2.1266	1.0814	2.1661	3.4040	3.8704	4.4820	2.5880		2.4953	4.3040	4.9512
H10	3.8522	3.3751	2.1419	1.0814	2.1514	3.3936	5.1947	4.5019	2.4953		2.4839	4.3040
H11	3.3751	3.8522	3.3936	2.1514	1.0814	2.1419	4.5019	5.1947	4.3040	2.4839		2.4953
H12	2.1266	3.3757	3.8704	3.4040	2.1661	1.0814	2.5880	4.4820	4.9512	4.3040	2.4953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.404	C1	C2	F8	119.356
C1	C6	C5	119.455	C1	C6	H12	118.678
C2	C1	C6	120.404	C2	C1	F7	119.356
C2	C3	C4	119.455	C2	C3	H9	118.678
C3	C2	F8	120.240	C3	C4	C5	120.141
C3	C4	H10	119.556	C4	C3	H9	121.867
C4	C5	C6	120.141	C4	C5	H11	120.304
C5	C4	H10	120.304	C5	C6	H12	121.867
C6	C1	F7	120.240	C6	C5	H11	119.556

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₆H₄F₂ (orthodifluorobenzene)