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	hartrees
Energy at 0K	-430.264634
Energy at 298.15K
HF Energy	-428.548297
Nuclear repulsion energy	341.459079

Atom	y (Å)	z (Å)
C1	0.000	1.365
C2	0.000	-1.365
C3	1.216	0.698
C4	-1.216	0.698
C5	-1.216	-0.698
C6	1.216	-0.698
F7	0.000	2.713
F8	0.000	-2.713
H9	2.140	1.261
H10	-2.140	1.261
H11	-2.140	-1.261
H12	2.140	-1.261

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7303	1.3876	1.3876	2.3946	2.3946	1.3480	4.0783	2.1425	2.1425	3.3878	3.3878
C2	2.7303		2.3946	2.3946	1.3876	1.3876	4.0783	1.3480	3.3878	3.3878	2.1425	2.1425
C3	1.3876	2.3946		2.4327	2.8043	1.3950	2.3542	3.6210	1.0820	3.4034	3.8861	2.1655
C4	1.3876	2.3946	2.4327		1.3950	2.8043	2.3542	3.6210	3.4034	1.0820	2.1655	3.8861
C5	2.3946	1.3876	2.8043	1.3950		2.4327	3.6210	2.3542	3.8861	2.1655	1.0820	3.4034
C6	2.3946	1.3876	1.3950	2.8043	2.4327		3.6210	2.3542	2.1655	3.8861	3.4034	1.0820
F7	1.3480	4.0783	2.3542	2.3542	3.6210	3.6210		5.4263	2.5861	2.5861	4.5138	4.5138
F8	4.0783	1.3480	3.6210	3.6210	2.3542	2.3542	5.4263		4.5138	4.5138	2.5861	2.5861
H9	2.1425	3.3878	1.0820	3.4034	3.8861	2.1655	2.5861	4.5138		4.2800	4.9679	2.5222
H10	2.1425	3.3878	3.4034	1.0820	2.1655	3.8861	2.5861	4.5138	4.2800		2.5222	4.9679
H11	3.3878	2.1425	3.8861	2.1655	1.0820	3.4034	4.5138	2.5861	4.9679	2.5222		4.2800
H12	3.3878	2.1425	2.1655	3.8861	3.4034	1.0820	4.5138	2.5861	2.5222	4.9679	4.2800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.762	C1	C3	H9	119.846
C1	C4	C5	118.762	C1	C4	H10	119.846
C2	C5	C4	118.762	C2	C5	H11	119.846
C2	C6	C3	118.762	C2	C6	H12	119.846
C3	C1	C4	122.475	C3	C1	F7	118.762
C3	C6	H12	121.391	C4	C1	F7	118.762
C4	C5	H11	121.391	C5	C2	C6	122.475
C5	C2	F8	118.762	C5	C4	H10	121.391
C6	C2	F8	118.762	C6	C3	H9	121.391

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

using model chemistry: MP4=FULL/6-311+G(3df,2p)

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=FULL/6-311+G(3df,2p)

States and conformations

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