%nprocshared=32
%mem=120GB
#p opt=(CalcFC) SCRFDef=AsymmetricIEFPCM freq=noraman b3lyp EmpiricalDispersion=GD3 gen pseudo=read scrf=(SMD,solvent=n-hexane) scf=xqc nosymm

B3LYP_aph_sty_180L3

0 1
6        2.306155000      0.983373000      1.606894000
6       -1.221206000      2.239783000      1.539161000
6       -2.424799000     -1.235892000      0.830216000
6        1.097211000     -2.451275000      0.853522000
8       -1.058706000      1.527127000      2.577277000
8       -0.869569000      1.936374000      0.350100000
8       -2.007747000     -1.180710000      2.025824000
8       -1.828603000     -0.768426000     -0.196976000
8        0.727023000     -2.160727000      2.029801000
8        0.961148000     -1.713893000     -0.181887000
8        1.692225000      0.549215000      2.623653000
8        1.893577000      0.927428000      0.396120000
45       0.024897000      0.114239000      0.007465877
45      -0.168884000     -0.327533000      2.393564000
6        0.094713334      0.501898614     -2.152124212
6       -0.909158123     -0.411454000     -2.761384000
8       -2.014118123     -0.025560000     -3.083847000
8       -0.539102000     -1.715801877     -2.754468000
6       -1.595128000     -2.668413000     -2.864452000
1       -2.538277000     -2.250981000     -2.509821000
1       -1.705239439     -3.002962000     -3.899887000
1        1.284041647     -0.197964350     -2.140891243
6        1.991566104     -0.501478614     -2.966608561
1        2.823528472      0.183593702     -2.805763420
1        2.183676209     -1.532290982     -2.663974034
1        1.565633439     -0.419318877     -3.960272071
6        3.642254000      1.652927000      1.819790000
1        4.001144000      1.485056000      2.835539000
1        4.367595000      1.277619000      1.093220000
1        3.528269000      2.729241000      1.650760000
6        1.786720000     -3.775936000      0.635736000
1        1.625036000     -4.436732000      1.488070000
1        1.418757000     -4.236248000     -0.282655000
1        2.862030000     -3.599684000      0.521210000
6       -3.731473000     -1.945848000      0.574920000
1       -3.506189000     -2.965514000      0.245541000
1       -4.327712000     -1.993385000      1.487040000
1       -4.285589000     -1.441306000     -0.219680000
6       -1.922780000      3.565706000      1.706781000
1       -2.973807000      3.442236000      1.422999000
1       -1.874787000      3.897394000      2.744854000
1       -1.482118000      4.311713000      1.041907000
6        0.318397877      1.846088439     -2.720489877
6        1.207458439      2.721697000     -2.061957439
6       -0.366477000      2.315941439     -3.861754561
6        1.407579561      4.015171439     -2.525445000
6       -0.186150000      3.620883439     -4.307558000
6        0.701717000      4.469955439     -3.644522000
1        1.728145877      2.372728439     -1.176555877
1       -1.067964561      1.672679000     -4.374224000
1        2.087874561      4.682346439     -2.006775000
1       -0.734458000      3.982178000     -5.171785000
6        0.951773000      5.859149000     -4.168984000
9        1.242604000      6.730511000     -3.176603000
9        2.002093000      5.881846000     -5.026887000
9       -0.112730000      6.349245000     -4.841958000
6       -1.230414000     -3.869912000     -2.015298000
9       -0.010850000     -4.358268000     -2.327112000
9       -1.232470000     -3.600618000     -0.694614000
9       -2.137898000     -4.847263000     -2.231194000

F C O H 0
6-31G(d,p)
****
Rh 0
LANL2DZ
F 1 1.000
1.350 1.000
****

Rh
LANL2DZ






