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	hartrees
Energy at 0K	-429.528114
Energy at 298.15K	-429.532765
Nuclear repulsion energy	340.294538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3246	3091	0.00
2	A_g	1712	1630	0.00
3	A_g	1320	1257	0.00
4	A_g	1189	1132	0.00
5	A_g	881	839	0.00
6	A_g	457	435	0.00
7	A_u	912	868	0.00
8	A_u	423	403	0.00
9	B_1g	813	774	0.00
10	B_1u	3232	3078	4.89
11	B_1u	1589	1514	236.37
12	B_1u	1268	1207	141.14
13	B_1u	1045	995	3.97
14	B_1u	753	717	47.59
15	B_2g	868	826	0.00
16	B_2g	566	539	0.00
17	B_2g	374	356	0.00
18	B_2u	3245	3091	1.93
19	B_2u	1478	1407	0.11
20	B_2u	1298	1236	1.74
21	B_2u	1128	1074	12.78
22	B_2u	348	331	5.26
23	B_3g	3234	3079	0.00
24	B_3g	1701	1620	0.00
25	B_3g	1322	1259	0.00
26	B_3g	652	621	0.00
27	B_3g	446	425	0.00
28	B_3u	827	788	94.82
29	B_3u	506	482	7.89
30	B_3u	162	155	1.85

Atom	y (Å)	z (Å)
C1	0.000	1.369
C2	0.000	-1.369
C3	1.218	0.698
C4	-1.218	0.698
C5	-1.218	-0.698
C6	1.218	-0.698
F7	0.000	2.726
F8	0.000	-2.726
H9	2.146	1.265
H10	-2.146	1.265
H11	-2.146	-1.265
H12	2.146	-1.265

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7373	1.3905	1.3905	2.3993	2.3993	1.3572	4.0945	2.1482	2.1482	3.3972	3.3972
C2	2.7373		2.3993	2.3993	1.3905	1.3905	4.0945	1.3572	3.3972	3.3972	2.1482	2.1482
C3	1.3905	2.3993		2.4366	2.8085	1.3967	2.3653	3.6344	1.0869	3.4114	3.8951	2.1715
C4	1.3905	2.3993	2.4366		1.3967	2.8085	2.3653	3.6344	3.4114	1.0869	2.1715	3.8951
C5	2.3993	1.3905	2.8085	1.3967		2.4366	3.6344	2.3653	3.8951	2.1715	1.0869	3.4114
C6	2.3993	1.3905	1.3967	2.8085	2.4366		3.6344	2.3653	2.1715	3.8951	3.4114	1.0869
F7	1.3572	4.0945	2.3653	2.3653	3.6344	3.6344		5.4516	2.5957	2.5957	4.5312	4.5312
F8	4.0945	1.3572	3.6344	3.6344	2.3653	2.3653	5.4516		4.5312	4.5312	2.5957	2.5957
H9	2.1482	3.3972	1.0869	3.4114	3.8951	2.1715	2.5957	4.5312		4.2914	4.9819	2.5304
H10	2.1482	3.3972	3.4114	1.0869	2.1715	3.8951	2.5957	4.5312	4.2914		2.5304	4.9819
H11	3.3972	2.1482	3.8951	2.1715	1.0869	3.4114	4.5312	2.5957	4.9819	2.5304		4.2914
H12	3.3972	2.1482	2.1715	3.8951	3.4114	1.0869	4.5312	2.5957	2.5304	4.9819	4.2914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.819	C1	C3	H9	119.747
C1	C4	C5	118.819	C1	C4	H10	119.747
C2	C5	C4	118.819	C2	C5	H11	119.747
C2	C6	C3	118.819	C2	C6	H12	119.747
C3	C1	C4	122.362	C3	C1	F7	118.819
C3	C6	H12	121.434	C4	C1	F7	118.819
C4	C5	H11	121.434	C5	C2	C6	122.362
C5	C2	F8	118.819	C5	C4	H10	121.434
C6	C2	F8	118.819	C6	C3	H9	121.434

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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