%chk=000159650.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159650

0 1
 O   -3.212100       1.621200     -6.3900001E-02
 O  -0.8072000      -2.340900      0.3281000    
 O    4.011900     -0.7929000      9.4099998E-02
 N  -0.8402000       1.843500     -0.1219000    
 C   0.3824000     -0.2469000      8.6499996E-02
 C  -0.8100000     -0.9809000      0.1824000    
 C   -2.021400     -0.2822000      0.1242000    
 C   0.3115000       1.158200     -6.4199999E-02
 C   -1.952900       1.096800     -2.5699999E-02
 C    1.628500     -0.8927000      0.1381000    
 C    1.508500       1.860800     -0.1569000    
 C    2.808400     -0.1614000      4.2900000E-02
 C   -3.399500     -0.6074000      0.1789000    
 C    2.748000       1.217500     -0.1048000    
 C   -4.078600      0.5828000      6.0699999E-02
 C   -1.456200      -3.097500     -0.6884000    
 C    5.179000      2.2100000E-02 -1.0100000E-02
 H    1.694400      -1.972800      0.2533000    
 H    1.491500       2.943500     -0.2735000    
 H   -3.854000      -1.579800      0.2986000    
 H    3.621300       1.855800     -0.1859000    
 H   -5.126200      0.8459000      4.9899999E-02
 H  -0.9054000      -4.034300     -0.8148000    
 H   -1.466700      -2.576600      -1.652300    
 H   -2.474700      -3.344900     -0.3782000    
 H    6.045400     -0.6446000      4.9600001E-02
 H    5.255800      0.7231000      0.8280000    
 H    5.230400      0.5283000     -0.9800000    


%chk=000159650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159650

0 1
O -3.246137 1.657234 0.014207
O -0.569166 -2.371719 -0.279092
O 4.107045 -0.751954 -0.100172
N -0.871124 1.906599 0.061961
C 0.445974 -0.219090 -0.095649
C -0.769725 -0.999783 -0.172137
C -2.005862 -0.322930 -0.132308
C 0.344240 1.227832 0.020489
C -1.930355 1.121986 -0.013806
C 1.732548 -0.830791 -0.131033
C 1.548074 1.991205 0.095279
C 2.891693 -0.048311 -0.055519
C -3.430130 -0.644932 -0.174659
C 2.802029 1.378002 0.059136
C -4.111940 0.547242 -0.087707
C -1.723226 -3.273491 -0.361810
C 5.348728 0.020350 -0.023897
H 1.820711 -1.915999 -0.217692
H 1.448450 3.077132 0.181535
H -3.905494 -1.617949 -0.259535
H 3.704602 1.993487 0.118551
H -5.171517 0.789003 -0.081755
H -1.289088 -4.280710 -0.440080
H -2.330679 -3.057264 -1.259570
H -2.345267 -3.205292 0.549321
H 6.152764 -0.728558 -0.075232
H 5.422275 0.578378 0.930025
H 5.442477 0.724023 -0.874154


