%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        2.426502000      1.273551000      1.717863000
6       -1.125848000      2.309199000      1.311473447
6       -2.146771000     -1.261442000      1.018738000
6        1.409666776     -2.315367776      1.436914000
8       -1.012792000      1.761252000      2.446450224
8       -0.685925000      1.854374000      0.199323224
8       -1.804726000     -1.032568000      2.218196000
8       -1.487202000     -0.954687000     -0.033364224
8        0.983213000     -1.858059776      2.534559000
8        1.296111776     -1.756453776      0.289311000
8        1.778513000      0.956398000      2.758356000
8        2.089866000      1.025845000      0.506269776
45       0.306558000      0.041841000      0.160799553
45      -0.027160000     -0.045725000      2.578672000
6        0.568292526      0.258717355     -1.835423303
6        3.713329000      2.043190000      1.898671776
1        4.047605000      1.991756000      2.937916000
1        4.483574000      1.652570000      1.231636000
1        3.538264000      3.090801000      1.630439776
6        2.101237000     -3.658590776      1.449004776
1        2.398512000     -3.925769776      2.463605776
1        1.404681000     -4.414789776      1.070491776
1        2.970554000     -3.643710776      0.787170776
6       -3.474329000     -1.942447000      0.785892000
1       -3.369640000     -2.710035000      0.015304000
1       -3.851949000     -2.377766000      1.711756000
1       -4.190606000     -1.199358000      0.416438776
6       -1.854416000      3.629973000      1.231069000
1       -2.737293000      3.517087000      0.594284000
1       -2.154847000      3.965613224      2.224796000
1       -1.206194000      4.377448000      0.764383000
1        1.154135540      1.122711118     -2.172918776
6       -0.496595118     -0.077993553     -2.866087105
9       -1.553239566      0.699631224     -2.580733447
9       -0.145016105      0.184651224     -4.156070434
9       -0.862944000     -1.370225776     -2.828613553
6        2.234830145     -1.135443697     -2.796765566
1        1.489651710     -0.794491342     -1.987310408
1        3.198604263     -0.906227368     -2.340840132
1        2.072787579     -0.618502789     -3.737418000
1        2.017758381     -2.202870145     -2.857122368

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

Rh
LANL2DZ






