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	hartrees
Energy at 0K	-426.706080
Energy at 298.15K	-426.711220
Nuclear repulsion energy	340.274613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3330	3111	0.00
2	A_g	1739	1625	0.00
3	A_g	1369	1279	0.00
4	A_g	1253	1171	0.00
5	A_g	905	845	0.00
6	A_g	485	453	0.00
7	A_u	1061	992	0.00
8	A_u	476	445	0.00
9	B_1g	912	852	0.00
10	B_1u	3311	3094	2.42
11	B_1u	1646	1538	195.29
12	B_1u	1339	1251	89.48
13	B_1u	1088	1017	1.35
14	B_1u	786	735	35.95
15	B_2g	1031	964	0.00
16	B_2g	772	722	0.00
17	B_2g	417	390	0.00
18	B_2u	3326	3108	0.13
19	B_2u	1505	1407	0.02
20	B_2u	1264	1181	0.51
21	B_2u	1176	1099	14.15
22	B_2u	344	321	6.46
23	B_3g	3313	3095	0.00
24	B_3g	1697	1586	0.00
25	B_3g	1397	1305	0.00
26	B_3g	698	652	0.00
27	B_3g	455	425	0.00
28	B_3u	937	876	145.88
29	B_3u	563	526	12.96
30	B_3u	173	161	2.96

Atom	y (Å)	z (Å)
C1	0.000	1.376
C2	0.000	-1.376
C3	1.206	0.695
C4	-1.206	0.695
C5	-1.206	-0.695
C6	1.206	-0.695
F7	0.000	2.746
F8	0.000	-2.746
H9	2.129	1.251
H10	-2.129	1.251
H11	-2.129	-1.251
H12	2.129	-1.251

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7518	1.3849	1.3849	2.3966	2.3966	1.3698	4.1217	2.1328	2.1328	3.3811	3.3811
C2	2.7518		2.3966	2.3966	1.3849	1.3849	4.1217	1.3698	3.3811	3.3811	2.1328	2.1328
C3	1.3849	2.3966		2.4121	2.7840	1.3902	2.3790	3.6461	1.0773	3.3811	3.8612	2.1536
C4	1.3849	2.3966	2.4121		1.3902	2.7840	2.3790	3.6461	3.3811	1.0773	2.1536	3.8612
C5	2.3966	1.3849	2.7840	1.3902		2.4121	3.6461	2.3790	3.8612	2.1536	1.0773	3.3811
C6	2.3966	1.3849	1.3902	2.7840	2.4121		3.6461	2.3790	2.1536	3.8612	3.3811	1.0773
F7	1.3698	4.1217	2.3790	2.3790	3.6461	3.6461		5.4915	2.6016	2.6016	4.5282	4.5282
F8	4.1217	1.3698	3.6461	3.6461	2.3790	2.3790	5.4915		4.5282	4.5282	2.6016	2.6016
H9	2.1328	3.3811	1.0773	3.3811	3.8612	2.1536	2.6016	4.5282		4.2581	4.9385	2.5014
H10	2.1328	3.3811	3.3811	1.0773	2.1536	3.8612	2.6016	4.5282	4.2581		2.5014	4.9385
H11	3.3811	2.1328	3.8612	2.1536	1.0773	3.3811	4.5282	2.6016	4.9385	2.5014		4.2581
H12	3.3811	2.1328	2.1536	3.8612	3.3811	1.0773	4.5282	2.6016	2.5014	4.9385	4.2581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.445	C1	C3	H9	119.511
C1	C4	C5	119.445	C1	C4	H10	119.511
C2	C5	C4	119.445	C2	C5	H11	119.511
C2	C6	C3	119.445	C2	C6	H12	119.511
C3	C1	C4	121.111	C3	C1	F7	119.445
C3	C6	H12	121.044	C4	C1	F7	119.445
C4	C5	H11	121.044	C5	C2	C6	121.111
C5	C2	F8	119.445	C5	C4	H10	121.044
C6	C2	F8	119.445	C6	C3	H9	121.044

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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