%chk=000044682.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044682

0 1
 O   -1.900800     -0.1726000      -2.493700    
 O    5.758100     -0.7654000      0.4793000    
 N    3.062600      0.1487000      0.4704000    
 C  -0.7684000     -9.6600004E-02 -0.2658000    
 C   0.6583000     -0.3435000      0.3759000    
 C  -0.7090000     -0.5419000      -1.793700    
 C    1.812400      0.4906000     -0.2051000    
 C   -1.886000     -0.8923000      0.4809000    
 C   -1.059500       1.431400     -7.6300003E-02
 C  -0.3949000      -2.017900      -2.125700    
 C    4.163200      0.9967000     -8.6000003E-03
 C    3.394300      -1.268400      0.2682000    
 C   -3.171300     -0.6943000      7.9400003E-02
 C   -1.689000       1.807400       1.067700    
 C   -1.497900      -1.729300       1.481600    
 C  -0.6607000       2.268600      -1.069500    
 C    5.458900      0.6134000      0.7006000    
 C    4.707700      -1.598000      0.9718000    
 C  -0.3496000      -2.388000      -3.600300    
 C   -4.169500      -1.405000      0.7460000    
 C   -1.947900       3.167500       1.236600    
 C   -2.496200      -2.440000       2.148000    
 C  -0.9197000       3.628700     -0.9005000    
 C   -3.831900      -2.277800       1.780200    
 C   -1.563300       4.078200      0.2527000    
 H   0.6247000     -0.1184000       1.452100    
 H   0.8661000      -1.408700      0.2682000    
 H   8.9800000E-02  5.2000000E-03  -2.302200    
 H    1.626700       1.553400     -2.7100001E-02
 H    1.911500      0.3383000      -1.284500    
 H   0.5667000      -2.297600      -1.683000    
 H   -1.156300      -2.654100      -1.658900    
 H    3.947600       2.052100      0.1934000    
 H    4.292100      0.8769000      -1.092200    
 H    3.481900      -1.495600     -0.8021000    
 H    2.659300      -1.944900      0.7091000    
 H   -3.467700     -3.8000001E-03 -0.7001000    
 H   -1.959700       1.146900       1.881900    
 H  -0.4852000      -1.908700       1.812500    
 H  -0.1334000       1.976700      -1.966600    
 H    5.402800      0.8074000       1.778700    
 H    6.290700       1.202500      0.3011000    
 H    4.987700      -2.637500      0.7723000    
 H    4.626300      -1.479600       2.059300    
 H   -1.939500      0.7929000      -2.573300    
 H  -9.0300001E-02  -3.444800      -3.719200    
 H   0.4017000      -1.791200      -4.126700    
 H   -1.319000      -2.222800      -4.080400    
 H   -5.210200      -1.274100      0.4643000    
 H   -2.438000       3.519600       2.139800    
 H   -2.234400      -3.121100       2.952600    
 H  -0.6136000       4.339500      -1.662700    
 H   -4.609200      -2.830300       2.300100    
 H   -1.760800       5.137700      0.3863000    


%chk=000044682-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044682

0 1
O -2.007385 -0.076704 -2.537869
O 5.955807 -0.490116 0.741925
N 3.113589 0.065379 0.413414
C -0.764361 -0.141474 -0.315594
C 0.664733 -0.437541 0.274788
C -0.801399 -0.569651 -1.844584
C 1.854988 0.340034 -0.327562
C -1.843795 -0.940978 0.462965
C -1.018044 1.386607 -0.179738
C -0.785131 -2.088146 -2.092972
C 4.145646 1.104651 0.155032
C 3.678012 -1.282261 0.136425
C -3.221374 -0.737958 0.166127
C -1.564248 1.916739 1.019114
C -1.524011 -1.898593 1.460103
C -0.628498 2.311085 -1.190014
C 5.388746 0.840773 1.019317
C 4.932904 -1.517764 0.993846
C -0.576762 -2.429009 -3.583253
C -4.230670 -1.465728 0.829596
C -1.733556 3.306917 1.196974
C -2.533487 -2.628335 2.131162
C -0.807536 3.703456 -1.021038
C -3.893624 -2.418022 1.819699
C -1.363821 4.210075 0.173825
H 0.649613 -0.200453 1.355019
H 0.858629 -1.522498 0.187064
H 0.093373 -0.130493 -2.338531
H 1.656104 1.423550 -0.245357
H 1.975494 0.110505 -1.417474
H 0.015439 -2.553646 -1.486621
H -1.744066 -2.508815 -1.740437
H 3.725825 2.096124 0.410063
H 4.450755 1.124226 -0.922362
H 3.946321 -1.392849 -0.945857
H 2.928272 -2.056540 0.381487
H -3.499975 -0.014370 -0.604261
H -1.868499 1.231054 1.816994
H -0.483015 -2.088306 1.735819
H -0.146592 1.957165 -2.109708
H 5.115100 0.913806 2.094097
H 6.194014 1.558384 0.790616
H 5.411669 -2.478356 0.741049
H 4.652138 -1.510468 2.069323
H -2.061362 0.908079 -2.422218
H -0.616114 -3.521167 -3.747922
H 0.405090 -2.068108 -3.946158
H -1.362656 -1.955397 -4.195318
H -5.281483 -1.289191 0.572720
H -2.157177 3.684547 2.134577
H -2.252089 -3.359036 2.898342
H -0.503648 4.388525 -1.820799
H -4.676772 -2.982011 2.338796
H -1.502913 5.288408 0.308167


