%chk=000054677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054677

0 1
 O    1.745900      -1.176700      0.8551000    
 N    3.073800      0.7067000     -0.8492000    
 N   -2.738000       1.580100      0.3273000    
 C    1.606700      0.5886000     -0.8531000    
 C    1.168600     -0.8567000     -0.4138000    
 C   0.9445000       1.762500     -4.3800000E-02
 C  -0.3309000     -0.9538000     -0.2745000    
 C  -0.5260000       1.537700      7.5700000E-02
 C   -1.039300      0.2290000     -3.5200000E-02
 C    3.648200      0.2604000      0.4237000    
 C   -2.411200      0.2567000      0.1230000    
 C    3.171100      -1.138900      0.7889000    
 C   -1.601100       2.364400      0.3029000    
 C   -1.074100      -2.136700     -0.3259000    
 C   -3.170100     -0.9128000      6.2300000E-02
 C   -2.467900      -2.110400     -0.1633000    
 H    1.280300      0.7127000      -1.895900    
 H    1.505100      -1.587600      -1.161500    
 H    1.142100       2.716400     -0.5470000    
 H    1.360100       1.828600      0.9678000    
 H    3.346500       1.672300      -1.028400    
 H    3.386200      0.9650000       1.220300    
 H    4.740200      0.2623000      0.3403000    
 H    3.525900      -1.888000      7.0600003E-02
 H    3.557200      -1.418200       1.774300    
 H   -1.672900       3.432500      0.4525000    
 H  -0.5747000      -3.087200     -0.4945000    
 H   -3.674500       1.928800      0.4780000    
 H   -4.247000     -0.9049000      0.1861000    
 H   -3.023200      -3.044800     -0.2120000    


%chk=000054677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054677

0 1
O 1.771569 -1.151409 0.930556
N 3.071196 0.649532 -0.862974
N -2.830813 1.607715 0.308228
C 1.586844 0.618720 -0.834293
C 1.154728 -0.816205 -0.387371
C 0.942049 1.766759 0.025134
C -0.346335 -0.954610 -0.247389
C -0.552120 1.573126 0.096577
C -1.068422 0.235756 -0.020493
C 3.727924 0.275886 0.411118
C -2.488309 0.261979 0.113573
C 3.243320 -1.125552 0.815116
C -1.655932 2.399500 0.293480
C -1.084336 -2.149946 -0.329035
C -3.233163 -0.937792 0.038247
C -2.506235 -2.132179 -0.181372
H 1.232555 0.739680 -1.877737
H 1.560530 -1.529311 -1.138144
H 1.220563 2.744606 -0.413684
H 1.375871 1.727740 1.044153
H 3.438112 1.521164 -1.264426
H 3.517034 0.979770 1.250443
H 4.823008 0.257633 0.253305
H 3.572989 -1.866435 0.055235
H 3.619958 -1.412905 1.811007
H -1.716214 3.477726 0.432050
H -0.572216 -3.103650 -0.500110
H -3.773285 1.969366 0.433087
H -4.323774 -0.960186 0.140643
H -3.055597 -3.078479 -0.244224


