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	hartrees
Energy at 0K	-429.763485
Energy at 298.15K
HF Energy	-428.551385
Nuclear repulsion energy	341.477268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3264	3094	0.00
2	A_g	1662	1575	0.00
3	A_g	1286	1219	0.00
4	A_g	1173	1112	0.00
5	A_g	867	822	0.00
6	A_g	455	432	0.00
7	A_u	681	646	0.00
8	A_u	193	182	0.00
9	B_1g	727	689	0.00
10	B_1u	3249	3080	2.43
11	B_1u	1551	1470	250.72
12	B_1u	1234	1169	188.04
13	B_1u	1026	972	5.61
14	B_1u	751	712	56.03
15	B_2g	745	706	0.00
16	B_2g	377	358	0.00
17	B_2g	1182i	1121i	0.00
18	B_2u	3263	3093	0.00
19	B_2u	1458	1382	1.26
20	B_2u	1426	1351	0.04
21	B_2u	1115	1057	12.32
22	B_2u	351	332	5.05
23	B_3g	3252	3082	0.00
24	B_3g	1661	1575	0.00
25	B_3g	1310	1242	0.00
26	B_3g	645	611	0.00
27	B_3g	445	422	0.00
28	B_3u	741	702	93.51
29	B_3u	444	421	9.62
30	B_3u	137	130	1.33

Atom	y (Å)	z (Å)
C1	0.000	1.365
C2	0.000	-1.365
C3	1.214	0.696
C4	-1.214	0.696
C5	-1.214	-0.696
C6	1.214	-0.696
F7	0.000	2.716
F8	0.000	-2.716
H9	2.138	1.259
H10	-2.138	1.259
H11	-2.138	-1.259
H12	2.138	-1.259

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7305	1.3863	1.3863	2.3926	2.3926	1.3511	4.0815	2.1404	2.1404	3.3847	3.3847
C2	2.7305		2.3926	2.3926	1.3863	1.3863	4.0815	1.3511	3.3847	3.3847	2.1404	2.1404
C3	1.3863	2.3926		2.4285	2.7994	1.3926	2.3569	3.6222	1.0814	3.3989	3.8806	2.1624
C4	1.3863	2.3926	2.4285		1.3926	2.7994	2.3569	3.6222	3.3989	1.0814	2.1624	3.8806
C5	2.3926	1.3863	2.7994	1.3926		2.4285	3.6222	2.3569	3.8806	2.1624	1.0814	3.3989
C6	2.3926	1.3863	1.3926	2.7994	2.4285		3.6222	2.3569	2.1624	3.8806	3.3989	1.0814
F7	1.3511	4.0815	2.3569	2.3569	3.6222	3.6222		5.4326	2.5873	2.5873	4.5136	4.5136
F8	4.0815	1.3511	3.6222	3.6222	2.3569	2.3569	5.4326		4.5136	4.5136	2.5873	2.5873
H9	2.1404	3.3847	1.0814	3.3989	3.8806	2.1624	2.5873	4.5136		4.2756	4.9619	2.5178
H10	2.1404	3.3847	3.3989	1.0814	2.1624	3.8806	2.5873	4.5136	4.2756		2.5178	4.9619
H11	3.3847	2.1404	3.8806	2.1624	1.0814	3.3989	4.5136	2.5873	4.9619	2.5178		4.2756
H12	3.3847	2.1404	2.1624	3.8806	3.3989	1.0814	4.5136	2.5873	2.5178	4.9619	4.2756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.851	C1	C3	H9	119.799
C1	C4	C5	118.851	C1	C4	H10	119.799
C2	C5	C4	118.851	C2	C5	H11	119.799
C2	C6	C3	118.851	C2	C6	H12	119.799
C3	C1	C4	122.297	C3	C1	F7	118.851
C3	C6	H12	121.350	C4	C1	F7	118.851
C4	C5	H11	121.350	C5	C2	C6	122.297
C5	C2	F8	118.851	C5	C4	H10	121.350
C6	C2	F8	118.851	C6	C3	H9	121.350

All results from a given calculation for C₆H₄F₂ (1,4-difluorobenzene)

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 (1,4-difluorobenzene)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₆H₄F₂ (1,4-difluorobenzene)