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	hartrees
Energy at 0K	-429.514162
Energy at 298.15K	-429.518841
Nuclear repulsion energy	340.757635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3255	3081	0.00
2	A_g	1724	1632	0.00
3	A_g	1334	1262	0.00
4	A_g	1193	1129	0.00
5	A_g	888	841	0.00
6	A_g	460	435	0.00
7	A_u	911	863	0.00
8	A_u	424	401	0.00
9	B_1g	814	771	0.00
10	B_1u	3241	3068	4.36
11	B_1u	1601	1516	245.58
12	B_1u	1279	1211	137.14
13	B_1u	1051	995	4.12
14	B_1u	761	720	48.46
15	B_2g	868	821	0.00
16	B_2g	566	536	0.00
17	B_2g	376	356	0.00
18	B_2u	3254	3080	1.23
19	B_2u	1486	1407	0.19
20	B_2u	1312	1242	1.72
21	B_2u	1132	1072	12.87
22	B_2u	351	332	5.53
23	B_3g	3243	3069	0.00
24	B_3g	1712	1620	0.00
25	B_3g	1327	1256	0.00
26	B_3g	656	621	0.00
27	B_3g	449	425	0.00
28	B_3u	830	786	96.65
29	B_3u	509	482	7.80
30	B_3u	163	154	1.97

Atom	y (Å)	z (Å)
C1	0.000	1.367
C2	0.000	-1.367
C3	1.217	0.697
C4	-1.217	0.697
C5	-1.217	-0.697
C6	1.217	-0.697
F7	0.000	2.722
F8	0.000	-2.722
H9	2.144	1.264
H10	-2.144	1.264
H11	-2.144	-1.264
H12	2.144	-1.264

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7345	1.3888	1.3888	2.3965	2.3965	1.3544	4.0889	2.1461	2.1461	3.3941	3.3941
C2	2.7345		2.3965	2.3965	1.3888	1.3888	4.0889	1.3544	3.3941	3.3941	2.1461	2.1461
C3	1.3888	2.3965		2.4334	2.8048	1.3949	2.3617	3.6291	1.0865	3.4077	3.8910	2.1697
C4	1.3888	2.3965	2.4334		1.3949	2.8048	2.3617	3.6291	3.4077	1.0865	2.1697	3.8910
C5	2.3965	1.3888	2.8048	1.3949		2.4334	3.6291	2.3617	3.8910	2.1697	1.0865	3.4077
C6	2.3965	1.3888	1.3949	2.8048	2.4334		3.6291	2.3617	2.1697	3.8910	3.4077	1.0865
F7	1.3544	4.0889	2.3617	2.3617	3.6291	3.6291		5.4433	2.5921	2.5921	4.5258	4.5258
F8	4.0889	1.3544	3.6291	3.6291	2.3617	2.3617	5.4433		4.5258	4.5258	2.5921	2.5921
H9	2.1461	3.3941	1.0865	3.4077	3.8910	2.1697	2.5921	4.5258		4.2872	4.9773	2.5285
H10	2.1461	3.3941	3.4077	1.0865	2.1697	3.8910	2.5921	4.5258	4.2872		2.5285	4.9773
H11	3.3941	2.1461	3.8910	2.1697	1.0865	3.4077	4.5258	2.5921	4.9773	2.5285		4.2872
H12	3.3941	2.1461	2.1697	3.8910	3.4077	1.0865	4.5258	2.5921	2.5285	4.9773	4.2872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.832	C1	C3	H9	119.723
C1	C4	C5	118.832	C1	C4	H10	119.723
C2	C5	C4	118.832	C2	C5	H11	119.723
C2	C6	C3	118.832	C2	C6	H12	119.723
C3	C1	C4	122.336	C3	C1	F7	118.832
C3	C6	H12	121.445	C4	C1	F7	118.832
C4	C5	H11	121.445	C5	C2	C6	122.336
C5	C2	F8	118.832	C5	C4	H10	121.445
C6	C2	F8	118.832	C6	C3	H9	121.445

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

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

States and conformations

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