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	hartrees
Energy at 0K	-429.575449
Energy at 298.15K	-429.580037
Nuclear repulsion energy	340.392912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3297	3107	0.00
2	A_g	1711	1612	0.00
3	A_g	1305	1230	0.00
4	A_g	1190	1121	0.00
5	A_g	880	829	0.00
6	A_g	458	431	0.00
7	A_u	916	863	0.00
8	A_u	412	388	0.00
9	B_1g	809	763	0.00
10	B_1u	3283	3094	3.75
11	B_1u	1590	1498	236.45
12	B_1u	1257	1185	186.92
13	B_1u	1047	986	6.37
14	B_1u	753	710	59.11
15	B_2g	867	817	0.00
16	B_2g	489	460	0.00
17	B_2g	353	332	0.00
18	B_2u	3297	3106	0.66
19	B_2u	1480	1394	0.63
20	B_2u	1313	1237	0.29
21	B_2u	1128	1063	10.59
22	B_2u	349	329	6.26
23	B_3g	3284	3095	0.00
24	B_3g	1709	1611	0.00
25	B_3g	1334	1257	0.00
26	B_3g	652	614	0.00
27	B_3g	447	421	0.00
28	B_3u	829	781	97.01
29	B_3u	499	470	14.20
30	B_3u	158	149	2.21

Atom	y (Å)	z (Å)
C1	0.000	1.364
C2	0.000	-1.364
C3	1.219	0.699
C4	-1.219	0.699
C5	-1.219	-0.699
C6	1.219	-0.699
F7	0.000	2.726
F8	0.000	-2.726
H9	2.141	1.262
H10	-2.141	1.262
H11	-2.141	-1.262
H12	2.141	-1.262

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7285	1.3890	1.3890	2.3961	2.3961	1.3615	4.0900	2.1435	2.1435	3.3886	3.3886
C2	2.7285		2.3961	2.3961	1.3890	1.3890	4.0900	1.3615	3.3886	3.3886	2.1435	2.1435
C3	1.3890	2.3961		2.4382	2.8101	1.3971	2.3655	3.6348	1.0806	3.4071	3.8904	2.1667
C4	1.3890	2.3961	2.4382		1.3971	2.8101	2.3655	3.6348	3.4071	1.0806	2.1667	3.8904
C5	2.3961	1.3890	2.8101	1.3971		2.4382	3.6348	2.3655	3.8904	2.1667	1.0806	3.4071
C6	2.3961	1.3890	1.3971	2.8101	2.4382		3.6348	2.3655	2.1667	3.8904	3.4071	1.0806
F7	1.3615	4.0900	2.3655	2.3655	3.6348	3.6348		5.4515	2.5935	2.5935	4.5264	4.5264
F8	4.0900	1.3615	3.6348	3.6348	2.3655	2.3655	5.4515		4.5264	4.5264	2.5935	2.5935
H9	2.1435	3.3886	1.0806	3.4071	3.8904	2.1667	2.5935	4.5264		4.2821	4.9709	2.5245
H10	2.1435	3.3886	3.4071	1.0806	2.1667	3.8904	2.5935	4.5264	4.2821		2.5245	4.9709
H11	3.3886	2.1435	3.8904	2.1667	1.0806	3.4071	4.5264	2.5935	4.9709	2.5245		4.2821
H12	3.3886	2.1435	2.1667	3.8904	3.4071	1.0806	4.5264	2.5935	2.5245	4.9709	4.2821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.638	C1	C3	H9	119.921
C1	C4	C5	118.638	C1	C4	H10	119.921
C2	C5	C4	118.638	C2	C5	H11	119.921
C2	C6	C3	118.638	C2	C6	H12	119.921
C3	C1	C4	122.725	C3	C1	F7	118.638
C3	C6	H12	121.441	C4	C1	F7	118.638
C4	C5	H11	121.441	C5	C2	C6	122.725
C5	C2	F8	118.638	C5	C4	H10	121.441
C6	C2	F8	118.638	C6	C3	H9	121.441

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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