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	hartrees
Energy at 0K	-429.289727
Energy at 298.15K	-429.294741
Nuclear repulsion energy	343.407103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3366	3109	0.00
2	A_g	1795	1658	0.00
3	A_g	1384	1278	0.00
4	A_g	1235	1140	0.00
5	A_g	922	852	0.00
6	A_g	477	441	0.00
7	A_u	1004	927	0.00
8	A_u	453	418	0.00
9	B_1g	875	808	0.00
10	B_1u	3351	3095	4.44
11	B_1u	1662	1535	277.93
12	B_1u	1329	1227	159.57
13	B_1u	1087	1004	4.42
14	B_1u	788	728	53.67
15	B_2g	957	884	0.00
16	B_2g	674	623	0.00
17	B_2g	401	370	0.00
18	B_2u	3365	3108	0.92
19	B_2u	1542	1425	0.16
20	B_2u	1326	1225	2.16
21	B_2u	1169	1080	14.61
22	B_2u	365	337	5.61
23	B_3g	3353	3097	0.00
24	B_3g	1780	1644	0.00
25	B_3g	1380	1275	0.00
26	B_3g	681	629	0.00
27	B_3g	468	432	0.00
28	B_3u	900	831	104.77
29	B_3u	547	505	8.69
30	B_3u	172	159	2.21

Atom	y (Å)	z (Å)
C1	0.000	1.360
C2	0.000	-1.360
C3	1.207	0.692
C4	-1.207	0.692
C5	-1.207	-0.692
C6	1.207	-0.692
F7	0.000	2.701
F8	0.000	-2.701
H9	2.127	1.253
H10	-2.127	1.253
H11	-2.127	-1.253
H12	2.127	-1.253

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7197	1.3792	1.3792	2.3810	2.3810	1.3407	4.0604	2.1296	2.1296	3.3693	3.3693
C2	2.7197		2.3810	2.3810	1.3792	1.3792	4.0604	1.3407	3.3693	3.3693	2.1296	2.1296
C3	1.3792	2.3810		2.4140	2.7831	1.3849	2.3429	3.6013	1.0774	3.3808	3.8602	2.1522
C4	1.3792	2.3810	2.4140		1.3849	2.7831	2.3429	3.6013	3.3808	1.0774	2.1522	3.8602
C5	2.3810	1.3792	2.7831	1.3849		2.4140	3.6013	2.3429	3.8602	2.1522	1.0774	3.3808
C6	2.3810	1.3792	1.3849	2.7831	2.4140		3.6013	2.3429	2.1522	3.8602	3.3808	1.0774
F7	1.3407	4.0604	2.3429	2.3429	3.6013	3.6013		5.4011	2.5727	2.5727	4.4896	4.4896
F8	4.0604	1.3407	3.6013	3.6013	2.3429	2.3429	5.4011		4.4896	4.4896	2.5727	2.5727
H9	2.1296	3.3693	1.0774	3.3808	3.8602	2.1522	2.5727	4.4896		4.2539	4.9374	2.5064
H10	2.1296	3.3693	3.3808	1.0774	2.1522	3.8602	2.5727	4.4896	4.2539		2.5064	4.9374
H11	3.3693	2.1296	3.8602	2.1522	1.0774	3.3808	4.4896	2.5727	4.9374	2.5064		4.2539
H12	3.3693	2.1296	2.1522	3.8602	3.3808	1.0774	4.4896	2.5727	2.5064	4.9374	4.2539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.939	C1	C3	H9	119.698
C1	C4	C5	118.939	C1	C4	H10	119.698
C2	C5	C4	118.939	C2	C5	H11	119.698
C2	C6	C3	118.939	C2	C6	H12	119.698
C3	C1	C4	122.122	C3	C1	F7	118.939
C3	C6	H12	121.363	C4	C1	F7	118.939
C4	C5	H11	121.363	C5	C2	C6	122.122
C5	C2	F8	118.939	C5	C4	H10	121.363
C6	C2	F8	118.939	C6	C3	H9	121.363

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

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

States and conformations

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