%chk=000049169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049169

0 1
 O   -3.272300      0.4752000     -0.5063000    
 O  -7.4900001E-02 -0.7939000       2.138800    
 O    1.376900      -1.813200      -2.209000    
 O  -0.1786000      -5.108500      0.5798000    
 N  -0.2184000      -2.933400       1.323300    
 N   0.5074000      -3.442600     -0.8483000    
 C   0.1293000      -1.091000     -0.2592000    
 C   0.9652000      0.1970000     -0.2820000    
 C   -1.280400     -0.7921000     -0.8002000    
 C  -3.6400001E-02  -1.565900       1.181000    
 C   0.7563000      -2.122200      -1.192200    
 C    2.402400     -8.5299999E-02  0.1332000    
 C   -1.975700      0.2631000      3.4699999E-02
 C    3.230100       1.174100      0.1088000    
 C   7.1000000E-03  -3.910200      0.3610000    
 C   -3.990100       1.457900      0.2281000    
 C   -5.364400       1.635700     -0.4015000    
 C    3.903800       1.543500      -1.055400    
 C    3.322200       1.970600       1.250400    
 C   -6.187000       2.692400      0.3303000    
 C    4.669700       2.709000      -1.078200    
 C    4.088100       3.136300       1.227400    
 C    4.761800       3.505400      6.3100003E-02
 C   -7.542200       2.897800     -0.3276000    
 H   0.5670000      0.9576000      0.3994000    
 H   0.9517000      0.6433000      -1.285800    
 H   -1.897600      -1.701000     -0.8165000    
 H   -1.235600     -0.4622000      -1.847000    
 H    2.446400     -0.5128000       1.142500    
 H    2.890300     -0.8221000     -0.5138000    
 H   -2.102700     -5.2099999E-02   1.073300    
 H   -1.446200       1.219000      6.6000000E-03
 H  -0.4671000      -3.264100       2.251500    
 H   0.7937000      -4.148600      -1.520800    
 H   -3.441600       2.407000      0.2048000    
 H   -4.095000       1.135300       1.270700    
 H   -5.245500       1.911300      -1.457000    
 H   -5.893200      0.6743000     -0.4008000    
 H    3.837900      0.9324000      -1.951800    
 H    2.800300       1.694500       2.162800    
 H   -6.334100       2.392600       1.374400    
 H   -5.646000       3.645800      0.3395000    
 H    5.193700       2.996900      -1.984900    
 H    4.159400       3.756800       2.115900    
 H    5.357800       4.413100      4.5299999E-02
 H   -8.123000       1.969800     -0.3270000    
 H   -8.115000       3.657400      0.2135000    
 H   -7.428800       3.231900      -1.363800    


%chk=000049169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049169

0 1
O -3.350040 0.539194 -0.373819
O -0.025589 -0.956425 2.262680
O 1.030089 -1.748456 -2.388802
O 0.024255 -5.250529 0.495911
N -0.074570 -3.066380 1.326074
N 0.469501 -3.458258 -0.939343
C 0.138494 -1.078869 -0.194033
C 1.078080 0.160780 -0.194288
C -1.322323 -0.677613 -0.659194
C 0.031365 -1.665171 1.223991
C 0.607774 -2.093043 -1.256077
C 2.559884 -0.162907 0.138879
C -1.979529 0.455363 0.143549
C 3.409573 1.100276 0.125956
C 0.123000 -4.014203 0.305159
C -4.120429 1.625698 0.251191
C -5.513062 1.641192 -0.385004
C 3.991562 1.568015 -1.080596
C 3.595608 1.860502 1.309151
C -6.413757 2.757079 0.194299
C 4.742263 2.765053 -1.105074
C 4.345698 3.058223 1.289141
C 4.921457 3.515061 0.080768
C -7.813046 2.783260 -0.457683
H 0.699738 0.883617 0.548589
H 1.021280 0.630461 -1.192588
H -1.991764 -1.558332 -0.610921
H -1.257594 -0.373426 -1.719851
H 2.612018 -0.637328 1.137940
H 2.951169 -0.885499 -0.602131
H -1.986151 0.240285 1.232466
H -1.455888 1.422122 -0.016587
H -0.253293 -3.452525 2.259242
H 0.680345 -4.132563 -1.682712
H -3.601621 2.597746 0.086261
H -4.187724 1.456087 1.349875
H -5.402638 1.774364 -1.478651
H -5.988408 0.653257 -0.229676
H 3.858014 0.987644 -2.002321
H 3.153393 1.508572 2.249828
H -6.518836 2.616773 1.289572
H -5.921596 3.740867 0.050873
H 5.189257 3.110217 -2.044414
H 4.484258 3.631513 2.212980
H 5.506256 4.441699 0.064188
H -8.339233 1.822266 -0.305079
H -8.442357 3.585465 -0.030827
H -7.738181 2.954674 -1.547893


