%chk=000118737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118737

0 1
 O   0.2693000     -8.7499999E-02  0.9956000    
 O  -0.2603000      1.9200001E-02  -1.274000    
 O    6.523600      0.4745000     -0.3682000    
 N    3.846700     -0.3939000      5.7799999E-02
 C    1.454900      0.1524000      0.2349000    
 C  -0.8298000     -1.2100000E-02  5.7999998E-02
 C    2.643500     -0.5308000      0.8759000    
 C    1.098600     -0.3847000      -1.123100    
 C   -1.718900      -1.253400      0.1878000    
 C   -1.636000       1.271900      0.2768000    
 C    4.169300       1.022600     -0.1626000    
 C    4.985500      -1.077800      0.6861000    
 C   -2.805200      -1.470700     -0.6912000    
 C   -2.701900       1.622600     -0.5837000    
 C    5.434100       1.139800      -1.008300    
 C    6.231700     -0.9106000     -0.1787000    
 C   -1.467000      -2.214500       1.186900    
 C   -1.331100       2.137200       1.346300    
 C   -3.171900     -0.5418000      -1.772500    
 C   -3.126500      0.7980000      -1.726400    
 C   -3.571800      -2.643900     -0.5739000    
 C   -3.391500       2.831600     -0.3818000    
 C   -2.248300      -3.365500       1.300600    
 C   -2.036900       3.325000       1.543600    
 C   -3.297200      -3.582800      0.4176000    
 C   -3.062900       3.675300      0.6765000    
 H    1.563400       1.242300      0.2113000    
 H    2.408400      -1.594000       1.019900    
 H    2.792700     -0.1236000       1.885400    
 H    1.704900      2.6500000E-02  -1.934200    
 H    1.133100      -1.479200      -1.167300    
 H    4.320200       1.535200      0.7964000    
 H    3.385100       1.547100     -0.7151000    
 H    4.772100      -2.146900      0.7991000    
 H    5.176400     -0.6614000       1.683900    
 H    5.290000      0.7233000      -2.012800    
 H    5.710000       2.192900      -1.123300    
 H    7.093800      -1.367300      0.3177000    
 H    6.115000      -1.396900      -1.154900    
 H  -0.6519000      -2.089100       1.894900    
 H  -0.5324000       1.905700       2.046200    
 H   -3.546700      -1.005900      -2.682700    
 H   -3.467100       1.348200      -2.601600    
 H   -4.401900      -2.833200      -1.252100    
 H   -4.204100       3.123000      -1.044800    
 H   -2.031500      -4.093100       2.077400    
 H   -1.779400       3.977000       2.373200    
 H   -3.903000      -4.480100      0.5003000    
 H   -3.610000       4.601500      0.8243000    


%chk=000118737-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118737

0 1
O 0.215882 0.344801 0.936522
O -0.401927 0.325547 -1.346542
O 6.718365 -0.091644 -0.230928
N 3.837688 -0.291598 0.099230
C 1.451393 0.401408 0.106055
C -0.958619 0.242594 0.038108
C 2.544140 -0.407655 0.817549
C 0.986022 -0.168188 -1.245219
C -1.636202 -1.116113 0.254421
C -1.874488 1.448584 0.220081
C 4.569977 0.959615 0.433259
C 4.722634 -1.469840 0.302866
C -2.699589 -1.540982 -0.607989
C -2.993713 1.651893 -0.648774
C 5.838995 1.072706 -0.426994
C 5.985315 -1.325212 -0.562623
C -1.161474 -1.992454 1.259607
C -1.555816 2.421117 1.195742
C -3.362066 -0.693976 -1.604919
C -3.488953 0.672946 -1.621540
C -3.179365 -2.879087 -0.474941
C -3.704994 2.885623 -0.548362
C -1.682041 -3.296055 1.401377
C -2.299596 3.614612 1.304865
C -2.686292 -3.749161 0.513539
C -3.371587 3.855882 0.413052
H 1.740938 1.464871 -0.004852
H 2.236414 -1.469867 0.831537
H 2.617020 -0.071586 1.880019
H 1.530653 0.227428 -2.113480
H 1.015897 -1.276487 -1.242956
H 4.856537 0.978870 1.515037
H 3.921569 1.833611 0.239202
H 4.176414 -2.385122 0.006791
H 5.026218 -1.577515 1.374406
H 5.555647 1.152976 -1.498694
H 6.441056 1.948879 -0.135083
H 6.693801 -2.148817 -0.375344
H 5.698314 -1.313002 -1.636253
H -0.367658 -1.635605 1.920898
H -0.700329 2.232615 1.849655
H -3.908279 -1.244521 -2.383605
H -4.126076 1.094283 -2.411663
H -3.975344 -3.217993 -1.149104
H -4.548623 3.060167 -1.227063
H -1.298119 -3.956943 2.186405
H -2.034401 4.358172 2.064487
H -3.084800 -4.766112 0.599403
H -3.943441 4.788434 0.474014


