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	hartrees
Energy at 0K	-429.805957
Energy at 298.15K	-429.810493
Nuclear repulsion energy	339.382393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3219	3122
2	A_g	1647	1597
3	A_g	1279	1240
4	A_g	1150	1115
5	A_g	853	827
6	A_g	445	432
7	A_u	893	866
8	A_u	409	397
9	B_1g	790	766
10	B_1u	3203	3106
11	B_1u	1535	1489
12	B_1u	1229	1192
13	B_1u	1011	980
14	B_1u	737	715
15	B_2g	848	822
16	B_2g	536	520
17	B_2g	350	339
18	B_2u	3218	3121
19	B_2u	1429	1386
20	B_2u	1340	1299
21	B_2u	1092	1059
22	B_2u	341	330
23	B_3g	3206	3109
24	B_3g	1636	1587
25	B_3g	1284	1245
26	B_3g	634	615
27	B_3g	434	420
28	B_3u	812	787
29	B_3u	496	481
30	B_3u	156	151

Atom	y (Å)	z (Å)
C1	0.000	1.379
C2	0.000	-1.379
C3	1.223	0.702
C4	-1.223	0.702
C5	-1.223	-0.702
C6	1.223	-0.702
F7	0.000	2.731
F8	0.000	-2.731
H9	2.151	1.268
H10	-2.151	1.268
H11	-2.151	-1.268
H12	2.151	-1.268

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7585	1.3978	1.3978	2.4136	2.4136	1.3517	4.1103	2.1537	2.1537	3.4107	3.4107
C2	2.7585		2.4136	2.4136	1.3978	1.3978	4.1103	1.3517	3.4107	3.4107	2.1537	2.1537
C3	1.3978	2.4136		2.4452	2.8194	1.4035	2.3691	3.6440	1.0872	3.4206	3.9063	2.1773
C4	1.3978	2.4136	2.4452		1.4035	2.8194	2.3691	3.6440	3.4206	1.0872	2.1773	3.9063
C5	2.4136	1.3978	2.8194	1.4035		2.4452	3.6440	2.3691	3.9063	2.1773	1.0872	3.4206
C6	2.4136	1.3978	1.4035	2.8194	2.4452		3.6440	2.3691	2.1773	3.9063	3.4206	1.0872
F7	1.3517	4.1103	2.3691	2.3691	3.6440	3.6440		5.4620	2.6014	2.6014	4.5405	4.5405
F8	4.1103	1.3517	3.6440	3.6440	2.3691	2.3691	5.4620		4.5405	4.5405	2.6014	2.6014
H9	2.1537	3.4107	1.0872	3.4206	3.9063	2.1773	2.6014	4.5405		4.3017	4.9934	2.5355
H10	2.1537	3.4107	3.4206	1.0872	2.1773	3.9063	2.6014	4.5405	4.3017		2.5355	4.9934
H11	3.4107	2.1537	3.9063	2.1773	1.0872	3.4206	4.5405	2.6014	4.9934	2.5355		4.3017
H12	3.4107	2.1537	2.1773	3.9063	3.4206	1.0872	4.5405	2.6014	2.5355	4.9934	4.3017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.993	C1	C3	H9	119.633
C1	C4	C5	118.993	C1	C4	H10	119.633
C2	C5	C4	118.993	C2	C5	H11	119.633
C2	C6	C3	118.993	C2	C6	H12	119.633
C3	C1	C4	122.014	C3	C1	F7	118.993
C3	C6	H12	121.373	C4	C1	F7	118.993
C4	C5	H11	121.373	C5	C2	C6	122.014
C5	C2	F8	118.993	C5	C4	H10	121.373
C6	C2	F8	118.993	C6	C3	H9	121.373

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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