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	hartrees
Energy at 0K	-330.541712
Energy at 298.15K
HF Energy	-329.562589
Nuclear repulsion energy	269.282416

Atom	y (Å)	z (Å)
F1	0.000	2.282
C2	0.000	0.933
C3	1.217	0.260
C4	-1.217	0.260
C5	1.208	-1.136
C6	-1.208	-1.136
C7	0.000	-1.836
H8	2.137	0.825
H9	-2.137	0.825
H10	2.146	-1.673
H11	-2.146	-1.673
H12	0.000	-2.916

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3488	2.3595	2.3595	3.6247	3.6247	4.1176	2.5861	2.5861	4.4995	4.4995	5.1978
C2	1.3488		1.3906	1.3906	2.3956	2.3956	2.7688	2.1397	2.1397	3.3758	3.3758	3.8490
C3	2.3595	1.3906		2.4343	1.3960	2.7986	2.4240	1.0794	3.4013	2.1450	3.8793	3.4017
C4	2.3595	1.3906	2.4343		2.7986	1.3960	2.4240	3.4013	1.0794	3.8793	2.1450	3.4017
C5	3.6247	2.3956	1.3960	2.7986		2.4168	1.3967	2.1696	3.8777	1.0807	3.3972	2.1518
C6	3.6247	2.3956	2.7986	1.3960	2.4168		1.3967	3.8777	2.1696	3.3972	1.0807	2.1518
C7	4.1176	2.7688	2.4240	2.4240	1.3967	1.3967		3.4130	3.4130	2.1521	2.1521	1.0802
H8	2.5861	2.1397	1.0794	3.4013	2.1696	3.8777	3.4130		4.2739	2.4984	4.9583	4.3086
H9	2.5861	2.1397	3.4013	1.0794	3.8777	2.1696	3.4130	4.2739		4.9583	2.4984	4.3086
H10	4.4995	3.3758	2.1450	3.8793	1.0807	3.3972	2.1521	2.4984	4.9583		4.2920	2.4800
H11	4.4995	3.3758	3.8793	2.1450	3.3972	1.0807	2.1521	4.9583	2.4984	4.2920		2.4800
H12	5.1978	3.8490	3.4017	3.4017	2.1518	2.1518	1.0802	4.3086	4.3086	2.4800	2.4800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.923	F1	C2	C4	118.923
C2	C3	C5	118.565	C2	C3	H8	119.522
C2	C4	C6	118.565	C2	C4	H9	119.522
C3	C2	C4	122.154	C3	C5	C7	120.452
C3	C5	H10	119.465	C4	C6	C7	120.452
C4	C6	H11	119.465	C5	C3	H8	121.913
C5	C7	C6	119.813	C5	C7	H12	120.093
C6	C4	H9	121.913	C6	C7	H12	120.093
C7	C5	H10	120.084	C7	C6	H11	120.084

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: MP3/6-31+G**

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 C6H5F (Fluorobenzene)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)