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	hartrees
Energy at 0K	-429.460954
Energy at 298.15K	-429.466025
Nuclear repulsion energy	343.846910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3348	3110	0.00
2	A_g	1779	1653	0.00
3	A_g	1371	1274	0.00
4	A_g	1224	1137	0.00
5	A_g	914	849	0.00
6	A_g	477	443	0.00
7	A_u	1007	936	0.00
8	A_u	455	423	0.00
9	B_1g	876	814	0.00
10	B_1u	3332	3096	5.74
11	B_1u	1649	1532	296.10
12	B_1u	1317	1223	176.67
13	B_1u	1078	1002	4.53
14	B_1u	786	731	59.37
15	B_2g	967	898	0.00
16	B_2g	715	664	0.00
17	B_2g	404	375	0.00
18	B_2u	3347	3110	1.82
19	B_2u	1529	1421	0.31
20	B_2u	1304	1211	1.41
21	B_2u	1154	1073	16.86
22	B_2u	365	339	5.81
23	B_3g	3334	3097	0.00
24	B_3g	1763	1638	0.00
25	B_3g	1373	1276	0.00
26	B_3g	678	630	0.00
27	B_3g	468	435	0.00
28	B_3u	915	851	109.11
29	B_3u	553	513	17.66
30	B_3u	172	160	2.02

Atom	y (Å)	z (Å)
C1	0.000	1.363
C2	0.000	-1.363
C3	1.206	0.693
C4	-1.206	0.693
C5	-1.206	-0.693
C6	1.206	-0.693
F7	0.000	2.695
F8	0.000	-2.695
H9	2.126	1.252
H10	-2.126	1.252
H11	-2.126	-1.252
H12	2.126	-1.252

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7257	1.3794	1.3794	2.3834	2.3834	1.3322	4.0578	2.1290	2.1290	3.3703	3.3703
C2	2.7257		2.3834	2.3834	1.3794	1.3794	4.0578	1.3322	3.3703	3.3703	2.1290	2.1290
C3	1.3794	2.3834		2.4117	2.7817	1.3861	2.3371	3.5962	1.0768	3.3785	3.8582	2.1520
C4	1.3794	2.3834	2.4117		1.3861	2.7817	2.3371	3.5962	3.3785	1.0768	2.1520	3.8582
C5	2.3834	1.3794	2.7817	1.3861		2.4117	3.5962	2.3371	3.8582	2.1520	1.0768	3.3785
C6	2.3834	1.3794	1.3861	2.7817	2.4117		3.5962	2.3371	2.1520	3.8582	3.3785	1.0768
F7	1.3322	4.0578	2.3371	2.3371	3.5962	3.5962		5.3900	2.5694	2.5694	4.4834	4.4834
F8	4.0578	1.3322	3.5962	3.5962	2.3371	2.3371	5.3900		4.4834	4.4834	2.5694	2.5694
H9	2.1290	3.3703	1.0768	3.3785	3.8582	2.1520	2.5694	4.4834		4.2522	4.9349	2.5045
H10	2.1290	3.3703	3.3785	1.0768	2.1520	3.8582	2.5694	4.4834	4.2522		2.5045	4.9349
H11	3.3703	2.1290	3.8582	2.1520	1.0768	3.3785	4.4834	2.5694	4.9349	2.5045		4.2522
H12	3.3703	2.1290	2.1520	3.8582	3.3785	1.0768	4.4834	2.5694	2.5045	4.9349	4.2522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.049	C1	C3	H9	119.664
C1	C4	C5	119.049	C1	C4	H10	119.664
C2	C5	C4	119.049	C2	C5	H11	119.664
C2	C6	C3	119.049	C2	C6	H12	119.664
C3	C1	C4	121.902	C3	C1	F7	119.049
C3	C6	H12	121.287	C4	C1	F7	119.049
C4	C5	H11	121.287	C5	C2	C6	121.902
C5	C2	F8	119.049	C5	C4	H10	121.287
C6	C2	F8	119.049	C6	C3	H9	121.287

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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