%chk=000063634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063634

0 1
 O    1.497000     -0.2732000       2.008700    
 O   -2.829900      -2.146000      0.5501000    
 N    1.179800     -0.9653000     -0.1947000    
 N    2.860500     -0.6025000      -1.837100    
 C  -0.1436000      -1.503200      7.9400003E-02
 C   -1.238300     -0.4612000     -0.1233000    
 C    1.894900     -0.3782000      0.8525000    
 C    3.230100      0.1408000      0.4761000    
 C    3.656100      6.8000001E-03 -0.8523000    
 C   -2.634300     -0.9912000      0.1785000    
 C    1.701600      -1.043300      -1.473200    
 C   -3.798200     -6.9899999E-02  2.5400000E-02
 C    4.046900      0.7528000       1.432700    
 C    4.917400      0.4971000      -1.208200    
 C    5.300700       1.235700       1.061300    
 C    5.735800       1.108500     -0.2567000    
 C   -3.567400       1.224100     -0.3826000    
 C   -5.058800     -0.5509000      0.2971000    
 C   -4.656200       2.083700     -0.5270000    
 C   -6.147700      0.3089000      0.1527000    
 C   -5.946500       1.626300     -0.2594000    
 H  -0.3222000      -2.357300     -0.5854000    
 H  -0.1747000      -1.883900       1.107400    
 H   -1.038400      0.3908000      0.5370000    
 H   -1.209800     -0.1200000      -1.164800    
 H    1.036700      -1.526000      -2.206300    
 H    3.725600      0.8615000       2.464700    
 H    5.271400      0.4055000      -2.232300    
 H    5.939400       1.711800       1.799700    
 H    6.712900       1.485400     -0.5443000    
 H   -2.583800       1.622800     -0.6020000    
 H   -5.237900      -1.572100      0.6184000    
 H   -4.500300       3.109700     -0.8480000    
 H   -7.152400     -4.7200002E-02  0.3609000    
 H   -6.794300       2.295600     -0.3720000    


%chk=000063634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063634

0 1
O 1.223119 0.078635 1.833371
O -2.815666 -2.247273 0.122350
N 1.218259 -1.041508 -0.226566
N 3.083921 -0.987049 -1.763655
C -0.151289 -1.546099 0.047588
C -1.209297 -0.434414 -0.090048
C 1.840970 -0.217091 0.764684
C 3.204481 0.218812 0.410885
C 3.780526 -0.175642 -0.842976
C -2.629290 -0.997111 0.017161
C 1.870292 -1.372388 -1.417089
C -3.788583 -0.044976 -0.017050
C 3.945593 1.030263 1.309984
C 5.094889 0.256955 -1.172023
C 5.242984 1.447739 0.971769
C 5.816183 1.059316 -0.273167
C -3.617601 1.361835 -0.127782
C -5.103872 -0.580163 0.063178
C -4.741254 2.214763 -0.159426
C -6.224343 0.271969 0.032335
C -6.045500 1.672689 -0.079665
H -0.364787 -2.374641 -0.647684
H -0.173451 -1.950812 1.072734
H -1.040119 0.325318 0.695862
H -1.100893 0.084111 -1.064197
H 1.301077 -2.011065 -2.101742
H 3.478092 1.312504 2.258998
H 5.513763 -0.056088 -2.133002
H 5.816679 2.072223 1.664618
H 6.828807 1.388829 -0.530454
H -2.613908 1.795799 -0.185068
H -5.213887 -1.666340 0.149625
H -4.603070 3.298100 -0.243113
H -7.234090 -0.147789 0.095527
H -6.916634 2.336989 -0.102961


