%chk=000130545.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130545

0 1
 O   -1.783900      0.4767000     -0.6358000    
 O    3.289500      0.1749000      -1.745500    
 O   -1.872800     -0.5071000       1.477200    
 N    4.421800      -1.727400      9.8499998E-02
 C   -3.649000     -0.9438000     -0.1481000    
 C   -3.359900      -1.802500      -1.386300    
 C   -4.278000      -1.796300      0.9619000    
 C   -4.630000      0.1751000     -0.5343000    
 C    3.091100      0.3247000     -0.3334000    
 C   -2.342800     -0.3227000      0.3607000    
 C    1.793400       1.019600     -9.4599999E-02
 C    3.143400      -1.061700      0.3389000    
 C  -0.5859000       1.081300     -0.2485000    
 C   0.5972000      0.4159000     -0.4823000    
 C    1.775800       2.273300      0.5169000    
 C  -0.6341000       2.319300      0.3533000    
 C   0.5622000       2.923100      0.7408000    
 C    4.462000      -3.022400      0.7607000    
 H   -2.965100      -1.204900      -2.215600    
 H   -2.615500      -2.574700      -1.160300    
 H   -4.267400      -2.303400      -1.741300    
 H   -3.606500      -2.607600       1.265900    
 H   -5.218800      -2.249500      0.6302000    
 H   -4.491300      -1.195700       1.853700    
 H   -4.248700      0.7837000      -1.362000    
 H   -5.597500     -0.2353000     -0.8445000    
 H   -4.805000      0.8515000      0.3104000    
 H    3.922200      0.9372000      3.8300000E-02
 H    2.351200      -1.703300     -6.4800002E-02
 H    2.969100     -0.9489000       1.416600    
 H   0.5876000     -0.5531000     -0.9722000    
 H    2.698900       2.757000      0.8249000    
 H   -1.578700       2.825100      0.5270000    
 H   0.5483000       3.899200       1.216900    
 H    5.180600      -1.144000      0.4498000    
 H    4.127700     -0.3022000      -1.870500    
 H    4.354800      -2.923700       1.845800    
 H    5.424500      -3.503500      0.5611000    
 H    3.678700      -3.687400      0.3822000    


%chk=000130545-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130545

0 1
O -1.947560 0.594643 -0.346974
O 2.767046 -1.000510 -1.524259
O -1.551975 -1.437366 0.758210
N 4.486213 -1.676164 0.410993
C -3.776508 -0.992098 -0.281141
C -3.890592 -0.944699 -1.833118
C -4.156675 -2.396915 0.243889
C -4.707655 0.087186 0.344752
C 3.041577 0.067041 -0.569522
C -2.320486 -0.694062 0.117489
C 1.800014 0.912648 -0.337003
C 3.517090 -0.607406 0.759020
C -0.618170 1.097317 -0.168390
C 0.520517 0.324007 -0.463079
C 1.916553 2.267883 0.058309
C -0.521030 2.446160 0.231538
C 0.759936 3.029917 0.339751
C 4.612763 -2.777227 1.391839
H -3.613903 0.049968 -2.220617
H -3.235285 -1.698691 -2.306230
H -4.933101 -1.162917 -2.129476
H -3.496913 -3.173919 -0.179604
H -5.199798 -2.627138 -0.039506
H -4.070219 -2.449641 1.343069
H -4.446881 1.094635 -0.019674
H -5.755375 -0.130257 0.066521
H -4.638580 0.083642 1.447996
H 3.861213 0.718528 -0.952112
H 2.643631 -1.089574 1.235317
H 3.910942 0.156733 1.464543
H 0.446042 -0.711685 -0.800676
H 2.907927 2.731451 0.133553
H -1.432275 3.015232 0.438994
H 0.852233 4.079915 0.637750
H 5.403273 -1.289722 0.147111
H 3.400506 -1.731594 -1.229845
H 4.942117 -2.446477 2.402720
H 5.336732 -3.522474 1.018200
H 3.635753 -3.279872 1.501363


