%chk=000018114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018114

0 1
 O    5.038400     -0.7789000      0.4515000    
 O   -1.528300       2.251100       1.922800    
 N    2.538400      0.3430000     -0.3184000    
 N   -3.452000       1.678900      0.8286000    
 C   -1.301000      0.9052000     -0.1184000    
 C   0.2261000      0.9491000      0.2364000    
 C    1.149000      0.2327000     -0.7580000    
 C   -1.567500       1.630200      -1.480100    
 C   -1.772800     -0.5690000     -0.1008000    
 C    2.723300     -0.2958000      0.9919000    
 C    3.447000     -0.2585000      -1.304400    
 C   -2.081300       1.678000      0.9845000    
 C    4.182200     -0.1783000       1.423800    
 C    4.889000     -0.1429000     -0.8184000    
 C   -1.159500       3.101300      -1.531000    
 C   -1.598000      -1.284100       1.051700    
 C   -2.338900      -1.074700      -1.238400    
 C   -2.023300      -2.612500       1.067900    
 C   -2.764300      -2.403100      -1.222100    
 C   -2.606500      -3.171800     -6.8899997E-02
 H   0.3332000      0.5406000       1.243700    
 H   0.5513000       1.994300      0.3284000    
 H   0.8604000     -0.8188000     -0.8721000    
 H    1.054500      0.7074000      -1.740500    
 H   -1.051000       1.119100      -2.301400    
 H   -2.637200       1.603400      -1.725600    
 H    2.435600      -1.354200      0.9490000    
 H    2.151100      0.1886000       1.785800    
 H    3.355700      0.2535000      -2.269100    
 H    3.197400      -1.316800      -1.455700    
 H    4.477600      0.8672000       1.575500    
 H    4.335000     -0.7059000       2.370900    
 H    5.560900     -0.6441000      -1.522600    
 H    5.208100      0.9038000     -0.7435000    
 H   -1.649600       3.689400     -0.7501000    
 H   -1.448400       3.530300      -2.496600    
 H  -7.7299997E-02   3.223700      -1.434100    
 H   -1.164900     -0.8657000       1.953300    
 H   -2.485200     -0.5293000      -2.160800    
 H   -4.048800       2.158800       1.494100    
 H   -3.919700       1.199800      6.6299997E-02
 H   -1.904400      -3.210100       1.967000    
 H   -3.218300      -2.839800      -2.106900    
 H   -2.938600      -4.205800     -5.6000002E-02


%chk=000018114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018114

0 1
O 5.205348 -0.761216 0.304408
O -1.590157 2.751902 1.568630
N 2.546273 0.307457 -0.225382
N -3.486730 1.605499 0.909690
C -1.317997 0.956368 -0.142852
C 0.185598 0.998606 0.285929
C 1.138243 0.295526 -0.700860
C -1.529552 1.611348 -1.554476
C -1.835405 -0.502166 -0.098760
C 2.795140 -0.629349 0.901827
C 3.508085 0.033613 -1.325258
C -2.122718 1.837171 0.872845
C 4.246504 -0.494079 1.389989
C 4.950534 0.165817 -0.810731
C -1.049851 3.072468 -1.678401
C -1.841927 -1.191121 1.147623
C -2.295192 -1.204725 -1.242842
C -2.277047 -2.528228 1.245794
C -2.733409 -2.547697 -1.149184
C -2.724442 -3.217571 0.093104
H 0.269273 0.536632 1.286533
H 0.496365 2.047947 0.417315
H 0.784090 -0.747428 -0.903812
H 1.125050 0.834532 -1.667596
H -1.004064 0.996838 -2.310608
H -2.607238 1.564539 -1.808154
H 2.605896 -1.690236 0.595104
H 2.113769 -0.391853 1.738508
H 3.341791 0.767044 -2.137521
H 3.367391 -0.992774 -1.751679
H 4.407903 0.531067 1.787683
H 4.473727 -1.237393 2.172199
H 5.679678 -0.105114 -1.592505
H 5.129819 1.210853 -0.476867
H -1.534399 3.727647 -0.934024
H -1.286708 3.462288 -2.685306
H 0.041439 3.160295 -1.533410
H -1.509546 -0.667739 2.052783
H -2.310671 -0.716339 -2.221799
H -4.062125 2.187912 1.517554
H -3.904705 0.809038 0.429978
H -2.270671 -3.032651 2.218708
H -3.078487 -3.067883 -2.050134
H -3.061476 -4.257547 0.165154


