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	hartrees
Energy at 0K	-426.702345
Energy at 298.15K	-426.707488
Nuclear repulsion energy	340.379006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3332	3100	0.00
2	A_g	1742	1621	0.00
3	A_g	1372	1277	0.00
4	A_g	1254	1167	0.00
5	A_g	906	843	0.00
6	A_g	485	452	0.00
7	A_u	1060	986	0.00
8	A_u	476	443	0.00
9	B_1g	911	847	0.00
10	B_1u	3314	3083	2.39
11	B_1u	1648	1534	196.35
12	B_1u	1341	1248	88.27
13	B_1u	1090	1014	1.43
14	B_1u	788	733	36.06
15	B_2g	1030	958	0.00
16	B_2g	772	718	0.00
17	B_2g	417	388	0.00
18	B_2u	3329	3097	0.12
19	B_2u	1507	1403	0.02
20	B_2u	1265	1177	0.47
21	B_2u	1177	1095	14.14
22	B_2u	345	321	6.53
23	B_3g	3315	3085	0.00
24	B_3g	1700	1582	0.00
25	B_3g	1398	1301	0.00
26	B_3g	698	650	0.00
27	B_3g	455	424	0.00
28	B_3u	937	872	146.12
29	B_3u	563	524	12.93
30	B_3u	173	161	2.99

Atom	y (Å)	z (Å)
C1	0.000	1.376
C2	0.000	-1.376
C3	1.206	0.695
C4	-1.206	0.695
C5	-1.206	-0.695
C6	1.206	-0.695
F7	0.000	2.745
F8	0.000	-2.745
H9	2.129	1.250
H10	-2.129	1.250
H11	-2.129	-1.250
H12	2.129	-1.250

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7513	1.3846	1.3846	2.3960	2.3960	1.3691	4.1204	2.1323	2.1323	3.3805	3.3805
C2	2.7513		2.3960	2.3960	1.3846	1.3846	4.1204	1.3691	3.3805	3.3805	2.1323	2.1323
C3	1.3846	2.3960		2.4114	2.7833	1.3899	2.3781	3.6449	1.0773	3.3803	3.8604	2.1532
C4	1.3846	2.3960	2.4114		1.3899	2.7833	2.3781	3.6449	3.3803	1.0773	2.1532	3.8604
C5	2.3960	1.3846	2.7833	1.3899		2.4114	3.6449	2.3781	3.8604	2.1532	1.0773	3.3803
C6	2.3960	1.3846	1.3899	2.7833	2.4114		3.6449	2.3781	2.1532	3.8604	3.3803	1.0773
F7	1.3691	4.1204	2.3781	2.3781	3.6449	3.6449		5.4895	2.6008	2.6008	4.5269	4.5269
F8	4.1204	1.3691	3.6449	3.6449	2.3781	2.3781	5.4895		4.5269	4.5269	2.6008	2.6008
H9	2.1323	3.3805	1.0773	3.3803	3.8604	2.1532	2.6008	4.5269		4.2573	4.9376	2.5009
H10	2.1323	3.3805	3.3803	1.0773	2.1532	3.8604	2.6008	4.5269	4.2573		2.5009	4.9376
H11	3.3805	2.1323	3.8604	2.1532	1.0773	3.3803	4.5269	2.6008	4.9376	2.5009		4.2573
H12	3.3805	2.1323	2.1532	3.8604	3.3803	1.0773	4.5269	2.6008	2.5009	4.9376	4.2573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.448	C1	C3	H9	119.509
C1	C4	C5	119.448	C1	C4	H10	119.509
C2	C5	C4	119.448	C2	C5	H11	119.509
C2	C6	C3	119.448	C2	C6	H12	119.509
C3	C1	C4	121.104	C3	C1	F7	119.448
C3	C6	H12	121.043	C4	C1	F7	119.448
C4	C5	H11	121.043	C5	C2	C6	121.104
C5	C2	F8	119.448	C5	C4	H10	121.043
C6	C2	F8	119.448	C6	C3	H9	121.043

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

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

States and conformations

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