%chk=000042694.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042694

0 1
 O   -3.144900       2.576100      9.4400004E-02
 O    3.122800       2.347100     -0.9002000    
 N   -1.999700      -1.294300      0.2981000    
 N   0.5946000     -0.4524000      0.5736000    
 C   -2.187000      -1.250400      -1.158900    
 C   -2.878700      -2.296700      0.9167000    
 C   -1.895500      -2.610900      -1.794100    
 C   -2.610100      -3.691200      0.3493000    
 C   -2.748400      -3.708800      -1.168800    
 C   -2.236100      2.4800001E-02  0.8844000    
 C   -1.301600       1.059900      0.3390000    
 C   6.4599998E-02  0.7906000      0.2037000    
 C   -1.815400       2.303300     -3.3399999E-02
 C   0.9076000       1.789400     -0.3112000    
 C    1.952400     -0.7788000      0.4614000    
 C  -0.9694000       3.287400     -0.5441000    
 C   0.3947000       3.034900     -0.6849000    
 C    2.358900       1.501400     -0.4535000    
 C    2.862800      0.1642000     -4.3900002E-02
 C    2.424600      -2.038100      0.8469000    
 C    4.220900     -0.1453000     -0.1618000    
 C    3.780600      -2.349000      0.7295000    
 C    4.675600      -1.405000      0.2266000    
 C   -3.573500       3.141600       1.331100    
 H   -1.517500     -0.5334000      -1.645200    
 H   -3.213100     -0.9469000      -1.407700    
 H   -3.935200      -2.037400      0.7674000    
 H   -2.700700      -2.329100       1.998400    
 H   -2.086700      -2.565300      -2.872200    
 H  -0.8331000      -2.855300      -1.667100    
 H   -1.597800      -4.011500      0.6275000    
 H   -3.306500      -4.412000      0.7924000    
 H   -3.799700      -3.556500      -1.442400    
 H   -2.450900      -4.686800      -1.562600    
 H   -2.077500     -1.4800000E-02   1.970500    
 H   -3.287200      0.2986000      0.7338000    
 H  -2.1299999E-02  -1.154600      0.9595000    
 H    1.037100       3.814400      -1.084500    
 H   -1.367300       4.255800     -0.8356000    
 H    1.740400      -2.785900       1.240300    
 H    4.933800      0.5759000     -0.5512000    
 H    4.139300      -3.329000       1.030700    
 H    5.729600      -1.651900      0.1373000    
 H   -3.297900       2.499700       2.173700    
 H   -4.662600       3.235200       1.305400    
 H   -3.140100       4.138000       1.463300    


%chk=000042694-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042694

0 1
O -3.175811 2.517233 0.660708
O 3.254381 2.548716 -0.338455
N -1.986854 -1.421279 0.348223
N 0.548949 -0.523665 0.467215
C -2.323645 -1.393669 -1.108342
C -2.691415 -2.534705 1.047918
C -1.942256 -2.723371 -1.787091
C -2.326531 -3.897707 0.426946
C -2.633979 -3.916008 -1.088154
C -2.267468 -0.100918 1.008704
C -1.326219 1.014467 0.569262
C 0.072424 0.781418 0.375203
C -1.795747 2.342964 0.445604
C 0.974964 1.856157 0.088541
C 1.892936 -0.843193 0.299625
C -0.915032 3.423924 0.143509
C 0.452172 3.168314 -0.020313
C 2.424243 1.605456 -0.088849
C 2.851492 0.188512 0.035427
C 2.319868 -2.200326 0.388463
C 4.218849 -0.163337 -0.122824
C 3.676589 -2.519867 0.224286
C 4.637284 -1.499789 -0.030731
C -3.729463 3.868408 0.531714
H -1.780865 -0.548711 -1.568841
H -3.416573 -1.200830 -1.242177
H -3.799019 -2.386869 0.997522
H -2.402948 -2.508027 2.115561
H -2.223163 -2.679289 -2.856274
H -0.842372 -2.849957 -1.742905
H -1.246769 -4.089866 0.587893
H -2.884459 -4.697421 0.949962
H -3.730739 -3.845653 -1.240699
H -2.306782 -4.872446 -1.536976
H -2.145225 -0.263839 2.099741
H -3.317915 0.217798 0.844821
H -0.225433 -1.246744 0.505751
H 1.161373 3.973458 -0.239299
H -1.293198 4.445206 0.051231
H 1.581978 -2.985149 0.593557
H 4.923229 0.651332 -0.322338
H 3.998254 -3.565246 0.296127
H 5.693338 -1.761109 -0.154401
H -3.285650 4.556652 1.275973
H -4.805800 3.754265 0.728020
H -3.576092 4.271711 -0.487240


