%chk=000154662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154662

0 1
 O    1.011600     -0.2653000     -8.7600000E-02
 O  -0.1051000      -2.599300       1.009800    
 O   -3.283100      -2.700800     -0.6717000    
 N   -2.648600     -0.6870000     -0.5777000    
 N   -3.329700      -1.602900      -1.239300    
 C  -0.3576000     -0.3119000      0.3245000    
 C   -1.210500     -0.6763000     -0.8929000    
 C   -3.201700      0.6504000     -0.7562000    
 C   -4.350600      0.8845000      0.2232000    
 C  -0.4886000      -1.308600       1.474100    
 C   -4.931700       2.290300      6.7400001E-02
 C    1.788700      0.5172000      0.8035000    
 C   -6.098900       2.519100       1.014500    
 C    3.211600      0.5336000      0.3274000    
 C    4.105400     -0.4430000      0.7670000    
 C    3.640600       1.525000     -0.5550000    
 C    5.428000     -0.4281000      0.3244000    
 C    4.963300       1.539900     -0.9977000    
 C    5.856900      0.5633000     -0.5579000    
 H  -0.6586000      0.6821000      0.6797000    
 H  -0.9841000     -3.1000001E-03  -1.733000    
 H  -0.8736000      -1.660900      -1.252000    
 H   -2.448000       1.420800     -0.5439000    
 H   -3.525100      0.8291000      -1.791800    
 H   -3.995900      0.7492000       1.253200    
 H   -5.147500      0.1487000      5.7500001E-02
 H   0.1446000      -1.060000       2.328300    
 H   -1.522200      -1.364200       1.830600    
 H   -4.155600       3.038800      0.2651000    
 H   -5.272800       2.440500     -0.9635000    
 H    1.763500      0.1240000       1.824500    
 H    1.402400       1.544000      0.8396000    
 H   -6.908000       1.808100      0.8193000    
 H   -6.497500       3.530400      0.8874000    
 H   -5.785700       2.405800       2.057300    
 H  -0.2128000      -3.213900       1.755600    
 H    3.782300      -1.222000       1.452500    
 H    2.953300       2.290000     -0.9067000    
 H    6.123800      -1.188800      0.6661000    
 H    5.297300       2.311300      -1.685200    
 H    6.886600      0.5747000     -0.9029000    


%chk=000154662-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154662

0 1
O 0.788397 -0.043816 0.143343
O -0.137895 -2.650694 1.391698
O -2.290575 -3.234897 -0.280751
N -2.684733 -1.053044 -0.725808
N -3.179802 -2.322609 -0.522413
C -0.592857 -0.317163 0.571842
C -1.238637 -0.750063 -0.772411
C -3.713286 -0.042107 -1.056211
C -3.846691 1.088452 -0.012926
C -0.735760 -1.364331 1.702361
C -4.990025 2.062047 -0.384036
C 1.762806 0.165101 1.240686
C -5.139609 3.213358 0.632710
C 3.096115 0.493234 0.606153
C 3.807314 -0.516117 -0.091992
C 3.652687 1.791832 0.695821
C 5.052278 -0.229397 -0.691780
C 4.902643 2.081131 0.100550
C 5.604643 1.070616 -0.595147
H -1.054656 0.629625 0.939612
H -1.080697 0.059266 -1.504737
H -0.707185 -1.652581 -1.125469
H -3.476840 0.391568 -2.048491
H -4.664881 -0.595766 -1.141980
H -2.898349 1.656573 0.060725
H -4.041445 0.646126 0.983914
H -0.223496 -1.003163 2.610498
H -1.817427 -1.452907 1.949590
H -4.802809 2.481844 -1.393517
H -5.943255 1.499760 -0.450666
H 1.833968 -0.765460 1.837842
H 1.420281 0.993191 1.898479
H -5.357425 2.824388 1.644820
H -5.962799 3.893235 0.348296
H -4.212517 3.813507 0.694608
H -0.735599 -3.101154 0.726257
H 3.374289 -1.520314 -0.165775
H 3.106867 2.579536 1.230094
H 5.594027 -1.015513 -1.229754
H 5.325702 3.089079 0.178166
H 6.573633 1.292327 -1.056701


