%chk=000131497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131497

0 1
 O  -0.5269000       3.189500      -1.351200    
 O   -3.445300      0.5666000      -2.249100    
 O   0.4303000     -0.5919000       1.819700    
 O    2.903300      -4.361300      0.5273000    
 O    3.114500      -2.981600      -1.274800    
 N   -3.365800       1.380700     -9.1100000E-02
 N  -0.6439000       1.353900      5.4800000E-02
 N   -3.154900      -1.810100     -0.1824000    
 N    1.219100      -1.407900     -0.2060000    
 N   -1.865700      -3.123200       1.056900    
 C   -2.684500       2.623800     -0.4457000    
 C   -2.943800       3.550600      0.7409000    
 C   -3.100800       2.597600       1.921200    
 C   -3.782800       1.383600       1.309100    
 C   -1.183600       2.402800     -0.6690000    
 C   -3.668500      0.4211000      -1.043900    
 C   0.7600000      0.9680000      1.2400000E-02
 C   -4.224800     -0.8939000     -0.5358000    
 C    1.637500       1.937300      0.7925000    
 C   0.8009000     -0.4083000      0.6604000    
 C    1.176100      -2.818100      0.1546000    
 C   1.7100001E-02  -3.552000     -0.5273000    
 C   -1.310200      -2.968500     -0.1932000    
 C   -2.122300      -2.190400     -0.9915000    
 C    3.081700       1.841400      0.3779000    
 C   -2.976000      -2.417900       1.027200    
 C    2.491200      -3.367500     -0.2971000    
 C    3.922500      0.9515000       1.031700    
 C    3.551600       2.643700     -0.6524000    
 C    5.260500      0.8624000      0.6475000    
 C    4.889600       2.554400      -1.036600    
 C    5.744000       1.663700     -0.3866000    
 H   -3.104600       3.021400      -1.376500    
 H   -3.885800       4.091100      0.5870000    
 H   -2.151200       4.286500      0.9066000    
 H   -2.115100       2.321400       2.313200    
 H   -3.677700       3.031100       2.743000    
 H   -3.497900      0.4541000       1.807600    
 H   -4.873400       1.482400       1.332700    
 H    1.049400      0.9264000      -1.044000    
 H   -1.271700      0.7944000      0.6243000    
 H   -4.883300     -0.7595000      0.3257000    
 H   -4.809200      -1.371000      -1.330400    
 H    1.553100       1.779000       1.876100    
 H    1.304600       2.972500      0.6392000    
 H    1.101700      -2.896600       1.245500    
 H   2.6799999E-02  -4.609000     -0.2325000    
 H   0.1544000      -3.540000      -1.617000    
 H    1.518100      -1.162700      -1.145700    
 H   -2.023000      -1.850700      -2.013200    
 H   -3.669500      -2.301900       1.848800    
 H    3.557600      0.3233000       1.839200    
 H    2.893900       3.338600      -1.166900    
 H    5.925600      0.1688000       1.153500    
 H    5.266100       3.177700      -1.842400    
 H    6.785700       1.593900     -0.6860000    
 H    3.765100      -4.736500      0.2466000    


%chk=000131497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131497

0 1
O -0.723527 3.406393 -1.344218
O -3.364532 0.582042 -2.129922
O 0.105604 -0.578200 1.520069
O 2.951256 -4.470809 0.296924
O 3.517590 -2.755995 -1.167719
N -3.511580 1.422697 0.027589
N -0.751665 1.532904 0.043018
N -3.059837 -1.833706 -0.117018
N 1.371091 -1.241287 -0.316902
N -1.748658 -3.335195 0.964023
C -2.880263 2.710583 -0.380911
C -3.229574 3.660778 0.796084
C -3.314463 2.717481 2.024774
C -3.949600 1.423138 1.455845
C -1.348925 2.578290 -0.614175
C -3.687131 0.424453 -0.909014
C 0.655513 1.138987 -0.121511
C -4.201990 -0.949272 -0.430513
C 1.626333 2.090123 0.653902
C 0.707825 -0.301785 0.431169
C 1.382773 -2.657482 0.067150
C 0.222899 -3.480466 -0.624506
C -1.135988 -2.966183 -0.249247
C -1.939736 -2.049550 -0.934025
C 3.084744 1.791599 0.348701
C -2.896115 -2.637196 1.014956
C 2.724236 -3.251196 -0.335196
C 3.886984 1.044232 1.248149
C 3.661149 2.233578 -0.871763
C 5.233529 0.746019 0.938887
C 5.005760 1.934455 -1.185127
C 5.796749 1.188575 -0.279999
H -3.292291 3.052544 -1.344761
H -4.209538 4.135263 0.606297
H -2.479692 4.459347 0.912188
H -2.304424 2.504509 2.417890
H -3.916077 3.139429 2.846310
H -3.597069 0.520068 1.986010
H -5.055126 1.460753 1.518175
H 0.913005 1.179674 -1.197037
H -1.301576 0.920188 0.653321
H -4.844458 -0.889666 0.463674
H -4.789129 -1.373672 -1.263438
H 1.412226 1.992379 1.733629
H 1.366011 3.116360 0.337540
H 1.234757 -2.727342 1.158775
H 0.327059 -4.530538 -0.299060
H 0.366428 -3.435410 -1.719673
H 1.937398 -0.965966 -1.125732
H -1.825945 -1.539762 -1.886616
H -3.632109 -2.681324 1.815408
H 3.454073 0.699220 2.195745
H 3.055101 2.826690 -1.568686
H 5.841657 0.171161 1.646592
H 5.437527 2.285355 -2.129320
H 6.839969 0.956485 -0.521705
H 3.811575 -4.859050 -0.020199


