%chk=000100621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100621

0 1
 O   0.5201000      -1.440800     -0.2193000    
 O    1.419500       1.425400      0.3104000    
 O  -0.2418000       2.716400     -0.5552000    
 N  -0.7120000      0.5341000      0.2084000    
 C  -0.1118000     -0.6785000      0.8061000    
 C    1.901200      -3.335000     -0.8051000    
 C   -2.128800      0.5299000     -7.5300001E-02
 C    1.221900      -2.550000      0.3203000    
 C   -2.953800     -0.4525000      0.5110000    
 C   -1.072800      -1.566900       1.520500    
 C   -2.397200      -1.462300       1.403600    
 C    3.738100       2.097700      0.5613000    
 C   0.1155000       1.649100     -6.3600004E-02
 C    2.337400       2.504100      9.5399998E-02
 C    2.581400      -4.583800     -0.2485000    
 C    2.913800      -2.468200      -1.556800    
 C   -2.733100       1.463700     -0.9339000    
 C   -4.336700     -0.4641000      0.2666000    
 C    4.255800      0.8874000     -0.2189000    
 C    4.706200       3.270700      0.4249000    
 C   -4.110200       1.441100      -1.177900    
 C   -4.912800      0.4824000     -0.5739000    
 H   0.6429000     -0.3547000       1.534000    
 H    1.133600      -3.642000      -1.527200    
 H   0.5443000      -3.250000      0.8182000    
 H    1.970300      -2.202900       1.043800    
 H  -0.6886000      -2.292800       2.232600    
 H   -3.061600      -2.111700       1.962200    
 H    3.683200       1.807000       1.618200    
 H    1.996100       3.376400      0.6658000    
 H    2.350300       2.759400     -0.9713000    
 H    3.050100      -5.161800      -1.052000    
 H    1.854900      -5.234500      0.2495000    
 H    3.358100      -4.323800      0.4788000    
 H    3.347100      -3.024900      -2.394900    
 H    3.735200      -2.163600     -0.9008000    
 H    2.445800      -1.567300      -1.966100    
 H   -2.171200       2.212700      -1.478200    
 H   -4.976500      -1.213900      0.7270000    
 H    5.264800      0.6151000      0.1082000    
 H    4.289400       1.090000      -1.294600    
 H    3.609800      2.0900000E-02 -5.3800002E-02
 H    5.702900       2.996900      0.7867000    
 H    4.362500       4.128900       1.011900    
 H    4.800600       3.589600     -0.6188000    
 H   -4.551600       2.172100      -1.849700    
 H   -5.981700      0.4661000     -0.7634000    


%chk=000100621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100621

0 1
O 0.289219 -1.618696 -0.094877
O 1.431569 1.357633 0.425405
O -0.186164 2.597674 -0.701651
N -0.717808 0.500390 0.286387
C -0.142323 -0.666825 0.976894
C 1.806057 -3.348697 -0.894086
C -2.103947 0.476606 -0.107897
C 1.339017 -2.554061 0.339317
C -2.989941 -0.373239 0.632084
C -1.123859 -1.316569 1.915937
C -2.466127 -1.192180 1.720668
C 3.749929 2.061083 0.728314
C 0.134216 1.564962 -0.062942
C 2.392026 2.461070 0.135424
C 2.793100 -4.458974 -0.461849
C 2.427615 -2.418900 -1.959706
C -2.618879 1.256823 -1.173653
C -4.368402 -0.403442 0.295847
C 4.318235 0.795530 0.047942
C 4.724138 3.257416 0.600052
C -3.992304 1.199232 -1.492771
C -4.877624 0.374285 -0.759949
H 0.761344 -0.334620 1.516315
H 0.903920 -3.824377 -1.328840
H 0.941407 -3.249351 1.110174
H 2.191216 -1.986277 0.781851
H -0.710567 -1.929260 2.723472
H -3.180601 -1.713086 2.369276
H 3.595042 1.846928 1.805303
H 2.000485 3.391574 0.586363
H 2.446272 2.600237 -0.960870
H 3.115344 -5.053324 -1.336045
H 2.335500 -5.152441 0.269054
H 3.701292 -4.024856 -0.000057
H 2.676496 -2.983419 -2.877181
H 3.361376 -1.958499 -1.580673
H 1.725959 -1.609356 -2.223402
H -1.957075 1.916885 -1.733089
H -5.033746 -1.055293 0.875003
H 5.268465 0.489105 0.522413
H 4.519419 0.985676 -1.024184
H 3.605623 -0.044422 0.115676
H 5.710451 2.999126 1.025465
H 4.348193 4.151368 1.131720
H 4.878337 3.530479 -0.461541
H -4.368744 1.807288 -2.322736
H -5.942551 0.339890 -1.012156


