%chk=000030642.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030642

0 1
 O  -0.3756000      0.3315000      9.3300000E-02
 O   0.9638000       1.883400     -0.9539000    
 N   -3.973900      0.7546000     -0.6004000    
 C   -5.155000      5.0400000E-02 -0.1344000    
 C   -6.451700      0.7334000     -0.5523000    
 C   -5.270400      3.4100000E-02   1.385200    
 C   -7.495500      0.1275000      0.3823000    
 C   -6.733600     -0.3242000       1.631400    
 C   -2.758000      0.1622000     -3.5399999E-02
 C   -3.905600      0.7442000      -2.064400    
 C   -1.526200      0.9283000     -0.4903000    
 C    1.959700      0.2064000      0.5200000    
 C   0.8281000      0.9114000     -0.2216000    
 C    3.303300      0.9059000      0.3583000    
 C    2.054200      -1.284700      0.2253000    
 C    4.118600      0.5459000     -0.6943000    
 C    2.541500      -2.127100       1.203000    
 C    3.661900       1.877500       1.269200    
 C    1.649200      -1.746600      -1.009800    
 C    5.348700       1.186300     -0.8427000    
 C    2.628000      -3.492900      0.9333000    
 C    4.892200       2.518000       1.120700    
 C    1.735600      -3.112500      -1.279300    
 C    5.735500       2.172300      6.4599998E-02
 C    2.225100      -3.985600     -0.3077000    
 H   -5.159800     -0.9869000     -0.5012000    
 H   -6.400300       1.817800     -0.3903000    
 H   -6.723900      0.5582000      -1.597400    
 H   -4.610500     -0.6943000       1.866900    
 H   -5.060900       1.023100       1.812800    
 H   -7.977000     -0.7365000     -9.0200000E-02
 H   -8.281200      0.8504000      0.6239000    
 H   -7.114800      0.1576000       2.537400    
 H   -6.845900      -1.406800       1.762100    
 H   -2.761700      0.2025000       1.059800    
 H   -2.657200     -0.8982000     -0.3038000    
 H   -3.701600     -0.2557000      -2.464800    
 H   -4.834000       1.102300      -2.520500    
 H   -3.152100       1.442000      -2.442100    
 H   -1.590300       1.978200     -0.1793000    
 H   -1.389400      0.8772000      -1.574400    
 H    1.677000      0.2963000       1.581300    
 H    3.843500     -0.1975000      -1.433300    
 H    2.858200      -1.751800       2.171400    
 H    3.011200       2.155500       2.092700    
 H    1.280000      -1.088400      -1.789800    
 H    6.003300      0.9215000      -1.668100    
 H    3.009600      -4.172700       1.689500    
 H    5.193100       3.286700       1.826500    
 H    1.425500      -3.496000      -2.247000    
 H    6.692700       2.672200     -5.1800001E-02
 H    2.293400      -5.048900     -0.5181000    


%chk=000030642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030642

0 1
O -0.539339 -0.323834 -0.221138
O 0.869929 -0.014083 -2.047685
N -4.162639 0.437026 -0.788457
C -5.298461 0.457827 0.179079
C -6.521069 1.258383 -0.345196
C -4.969811 1.189641 1.508604
C -7.355332 1.600987 0.921573
C -6.354389 1.534074 2.125428
C -2.947503 -0.203055 -0.223912
C -4.548082 -0.171884 -2.084502
C -1.698633 0.125263 -1.052048
C 1.793597 -0.739122 0.154673
C 0.706730 -0.332602 -0.847244
C 2.659833 0.496861 0.475995
C 2.626045 -1.947512 -0.304625
C 3.569607 1.026962 -0.472732
C 3.125772 -2.824408 0.692775
C 2.536013 1.125695 1.739215
C 2.947239 -2.203105 -1.661881
C 4.344627 2.164081 -0.157518
C 3.931647 -3.930865 0.347621
C 3.313696 2.262766 2.056479
C 3.750259 -3.314292 -2.007568
C 4.221673 2.785155 1.107893
C 4.247608 -4.180628 -1.008114
H -5.631325 -0.588826 0.418767
H -6.137668 2.178618 -0.827418
H -7.119001 0.707246 -1.092217
H -4.354852 0.591061 2.203426
H -4.406903 2.110103 1.258794
H -8.173602 0.870552 1.059655
H -7.826959 2.595414 0.829975
H -6.316303 2.483265 2.688711
H -6.664569 0.749804 2.840362
H -2.779373 0.194197 0.789806
H -3.050834 -1.314326 -0.134116
H -4.837667 -1.249629 -1.989309
H -5.397972 0.376680 -2.520070
H -3.712501 -0.104159 -2.801607
H -1.614938 1.212988 -1.223161
H -1.649976 -0.396350 -2.023015
H 1.264045 -1.020781 1.080795
H 3.668620 0.552058 -1.454191
H 2.886693 -2.634958 1.746769
H 1.827593 0.726411 2.475607
H 2.557799 -1.542819 -2.443520
H 5.045121 2.566169 -0.898193
H 4.308684 -4.596615 1.132266
H 3.210303 2.737958 3.038548
H 3.986622 -3.502156 -3.061207
H 4.826219 3.666317 1.350639
H 4.870522 -5.040052 -1.280510


