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	hartrees
Energy at 0K	-426.850769
Energy at 298.15K	-426.855614
Nuclear repulsion energy	337.046536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3207	3083	0.00
2	A_g	1653	1589	0.00
3	A_g	1306	1256	0.00
4	A_g	1206	1159	0.00
5	A_g	861	827	0.00
6	A_g	464	446	0.00
7	A_u	980	942	0.00
8	A_u	448	431	0.00
9	B_1g	852	819	0.00
10	B_1u	3190	3066	3.43
11	B_1u	1575	1514	158.99
12	B_1u	1285	1235	75.76
13	B_1u	1044	1003	0.74
14	B_1u	753	724	28.94
15	B_2g	948	911	0.00
16	B_2g	714	687	0.00
17	B_2g	394	379	0.00
18	B_2u	3205	3080	1.24
19	B_2u	1439	1383	0.01
20	B_2u	1208	1161	0.41
21	B_2u	1130	1086	12.47
22	B_2u	330	317	5.86
23	B_3g	3191	3067	0.00
24	B_3g	1608	1545	0.00
25	B_3g	1341	1289	0.00
26	B_3g	668	642	0.00
27	B_3g	436	419	0.00
28	B_3u	871	837	125.72
29	B_3u	528	508	11.58
30	B_3u	163	157	2.35

Atom	y (Å)	z (Å)
C1	0.000	1.389
C2	0.000	-1.389
C3	1.218	0.702
C4	-1.218	0.702
C5	-1.218	-0.702
C6	1.218	-0.702
F7	0.000	2.772
F8	0.000	-2.772
H9	2.149	1.262
H10	-2.149	1.262
H11	-2.149	-1.262
H12	2.149	-1.262

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7789	1.3984	1.3984	2.4199	2.4199	1.3828	4.1617	2.1529	2.1529	3.4128	3.4128
C2	2.7789		2.4199	2.4199	1.3984	1.3984	4.1617	1.3828	3.4128	3.4128	2.1529	2.1529
C3	1.3984	2.4199		2.4352	2.8107	1.4035	2.4019	3.6812	1.0868	3.4129	3.8974	2.1732
C4	1.3984	2.4199	2.4352		1.4035	2.8107	2.4019	3.6812	3.4129	1.0868	2.1732	3.8974
C5	2.4199	1.3984	2.8107	1.4035		2.4352	3.6812	2.4019	3.8974	2.1732	1.0868	3.4129
C6	2.4199	1.3984	1.4035	2.8107	2.4352		3.6812	2.4019	2.1732	3.8974	3.4129	1.0868
F7	1.3828	4.1617	2.4019	2.4019	3.6812	3.6812		5.5445	2.6269	2.6269	4.5707	4.5707
F8	4.1617	1.3828	3.6812	3.6812	2.4019	2.4019	5.5445		4.5707	4.5707	2.6269	2.6269
H9	2.1529	3.4128	1.0868	3.4129	3.8974	2.1732	2.6269	4.5707		4.2982	4.9841	2.5233
H10	2.1529	3.4128	3.4129	1.0868	2.1732	3.8974	2.6269	4.5707	4.2982		2.5233	4.9841
H11	3.4128	2.1529	3.8974	2.1732	1.0868	3.4129	4.5707	2.6269	4.9841	2.5233		4.2982
H12	3.4128	2.1529	2.1732	3.8974	3.4129	1.0868	4.5707	2.6269	2.5233	4.9841	4.2982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.457	C1	C3	H9	119.535
C1	C4	C5	119.457	C1	C4	H10	119.535
C2	C5	C4	119.457	C2	C5	H11	119.535
C2	C6	C3	119.457	C2	C6	H12	119.535
C3	C1	C4	121.086	C3	C1	F7	119.457
C3	C6	H12	121.008	C4	C1	F7	119.457
C4	C5	H11	121.008	C5	C2	C6	121.086
C5	C2	F8	119.457	C5	C4	H10	121.008
C6	C2	F8	119.457	C6	C3	H9	121.008

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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