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	hartrees
Energy at 0K	-429.574630
Energy at 298.15K	-429.579124
Nuclear repulsion energy	339.232443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3226	3080
2	A_g	1673	1597
3	A_g	1294	1236
4	A_g	1175	1122
5	A_g	865	826
6	A_g	449	429
7	A_u	874	835
8	A_u	412	394
9	B_1g	787	751
10	B_1u	3212	3067
11	B_1u	1560	1489
12	B_1u	1245	1189
13	B_1u	1029	983
14	B_1u	742	708
15	B_2g	838	800
16	B_2g	512	489
17	B_2g	361	345
18	B_2u	3226	3080
19	B_2u	1453	1387
20	B_2u	1365	1303
21	B_2u	1116	1066
22	B_2u	342	327
23	B_3g	3214	3069
24	B_3g	1664	1588
25	B_3g	1304	1245
26	B_3g	642	613
27	B_3g	437	417
28	B_3u	798	762
29	B_3u	492	470
30	B_3u	159	152

Atom	y (Å)	z (Å)
C1	0.000	1.373
C2	0.000	-1.373
C3	1.223	0.700
C4	-1.223	0.700
C5	-1.223	-0.700
C6	1.223	-0.700
F7	0.000	2.734
F8	0.000	-2.734
H9	2.152	1.268
H10	-2.152	1.268
H11	-2.152	-1.268
H12	2.152	-1.268

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7454	1.3953	1.3953	2.4067	2.4067	1.3617	4.1070	2.1542	2.1542	3.4064	3.4064
C2	2.7454		2.4067	2.4067	1.3953	1.3953	4.1070	1.3617	3.4064	3.4064	2.1542	2.1542
C3	1.3953	2.4067		2.4453	2.8180	1.4007	2.3732	3.6458	1.0888	3.4217	3.9065	2.1768
C4	1.3953	2.4067	2.4453		1.4007	2.8180	2.3732	3.6458	3.4217	1.0888	2.1768	3.9065
C5	2.4067	1.3953	2.8180	1.4007		2.4453	3.6458	2.3732	3.9065	2.1768	1.0888	3.4217
C6	2.4067	1.3953	1.4007	2.8180	2.4453		3.6458	2.3732	2.1768	3.9065	3.4217	1.0888
F7	1.3617	4.1070	2.3732	2.3732	3.6458	3.6458		5.4687	2.6037	2.6037	4.5442	4.5442
F8	4.1070	1.3617	3.6458	3.6458	2.3732	2.3732	5.4687		4.5442	4.5442	2.6037	2.6037
H9	2.1542	3.4064	1.0888	3.4217	3.9065	2.1768	2.6037	4.5442		4.3033	4.9952	2.5364
H10	2.1542	3.4064	3.4217	1.0888	2.1768	3.9065	2.6037	4.5442	4.3033		2.5364	4.9952
H11	3.4064	2.1542	3.9065	2.1768	1.0888	3.4217	4.5442	2.6037	4.9952	2.5364		4.3033
H12	3.4064	2.1542	2.1768	3.9065	3.4217	1.0888	4.5442	2.6037	2.5364	4.9952	4.3033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.806	C1	C3	H9	119.760
C1	C4	C5	118.806	C1	C4	H10	119.760
C2	C5	C4	118.806	C2	C5	H11	119.760
C2	C6	C3	118.806	C2	C6	H12	119.760
C3	C1	C4	122.387	C3	C1	F7	118.806
C3	C6	H12	121.434	C4	C1	F7	118.806
C4	C5	H11	121.434	C5	C2	C6	122.387
C5	C2	F8	118.806	C5	C4	H10	121.434
C6	C2	F8	118.806	C6	C3	H9	121.434

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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