%chk=000036050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036050

0 1
 O  -0.5456000      0.9809000      0.5423000    
 O   -2.370300       1.030000       1.942100    
 N    3.589900      0.1423000      0.1167000    
 C   -2.679900      0.5377000     -0.4340000    
 C   -2.169900     -0.8051000      -1.035700    
 C   -2.467600       1.651600      -1.499200    
 C   -2.230600      -2.014900     -9.2399999E-02
 C   -4.175000      0.4241000     -7.9499997E-02
 C   -1.877100      0.8772000      0.8308000    
 C   -1.639700      -3.260300     -0.7574000    
 C   -2.856800       3.060300      -1.062900    
 C    1.744800       1.370900       1.156600    
 C   0.3061000       1.293200       1.649100    
 C    2.204600      4.4599999E-02  0.5598000    
 C   -1.724700      -4.473000      0.1559000    
 C    3.733300       1.183600     -0.9024000    
 C    4.057100      -1.144100     -0.4033000    
 C    5.183800       1.341800      -1.325600    
 C    3.917500      -2.240800      0.6388000    
 H   -1.130100     -0.6825000      -1.367700    
 H   -2.750700      -1.035300      -1.939100    
 H   -3.037700       1.402400      -2.403600    
 H   -1.412800       1.677300      -1.802900    
 H   -1.678100      -1.805600      0.8306000    
 H   -3.268800      -2.222600      0.1876000    
 H   -4.357200     -0.3473000      0.6761000    
 H   -4.772900      0.1786000     -0.9638000    
 H   -4.564800       1.356300      0.3430000    
 H  -0.5905000      -3.079900      -1.019300    
 H   -2.175400      -3.475000      -1.689300    
 H   -2.616900       3.773000      -1.859200    
 H   -2.313200       3.371300     -0.1661000    
 H   -3.929500       3.141000     -0.8669000    
 H    2.398100       1.669400       1.984900    
 H    1.749500       2.171400      0.4112000    
 H   0.2078000      0.5188000       2.418800    
 H   1.0100000E-02   2.259900       2.072400    
 H    2.091700     -0.6986000       1.355800    
 H    1.548700     -0.2568000     -0.2672000    
 H   -1.172500      -4.302800       1.085800    
 H   -1.295700      -5.350300     -0.3381000    
 H   -2.764700      -4.700700      0.4102000    
 H    3.105800      0.9904000      -1.781400    
 H    3.463300       2.167200     -0.5103000    
 H    3.523800      -1.435200      -1.317100    
 H    5.124400      -1.098100     -0.6427000    
 H    5.854200       1.412100     -0.4620000    
 H    5.521900      0.5273000      -1.973600    
 H    5.299400       2.266000      -1.903300    
 H    4.311200      -1.931000       1.613100    
 H    2.882400      -2.575200      0.7598000    
 H    4.490600      -3.120000      0.3224000    


%chk=000036050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036050

0 1
O -0.672048 1.458579 0.466432
O -2.282873 0.870466 2.041921
N 3.237316 -0.386958 0.202091
C -2.816292 0.718480 -0.392920
C -2.072154 -0.292319 -1.330403
C -3.009683 2.056035 -1.190102
C -1.673994 -1.642235 -0.691756
C -4.176490 0.148302 0.073066
C -1.944162 1.004859 0.843363
C -0.812381 -2.506038 -1.642287
C -3.660912 3.214023 -0.404904
C 1.705161 1.440379 1.024362
C 0.306765 1.766706 1.554752
C 1.935353 -0.076367 0.850321
C -0.354306 -3.833313 -1.000912
C 3.169291 -0.221194 -1.277287
C 3.760826 -1.724372 0.595751
C 4.544587 0.032801 -1.922717
C 4.354291 -1.745519 2.017019
H -1.157849 0.201864 -1.712759
H -2.728543 -0.480081 -2.205389
H -3.627955 1.819498 -2.079895
H -2.018916 2.379196 -1.561578
H -1.101206 -1.460864 0.241334
H -2.575270 -2.215611 -0.398032
H -4.049895 -0.798230 0.624375
H -4.821001 -0.038349 -0.805922
H -4.695535 0.845250 0.751306
H 0.077408 -1.919922 -1.954501
H -1.385992 -2.716295 -2.568262
H -3.728833 4.116158 -1.040126
H -3.069248 3.480760 0.490500
H -4.683468 2.965105 -0.070286
H 2.458867 1.839099 1.730095
H 1.857740 1.968673 0.064703
H 0.036555 1.174820 2.448434
H 0.199107 2.840084 1.794732
H 1.921017 -0.548114 1.850340
H 1.083016 -0.516869 0.276298
H 0.259117 -3.644092 -0.098996
H 0.252635 -4.434861 -1.702462
H -1.221784 -4.446527 -0.692209
H 2.678492 -1.107332 -1.759232
H 2.516780 0.645273 -1.490749
H 2.968620 -2.512712 0.500786
H 4.558255 -1.998303 -0.118409
H 5.007418 0.934226 -1.484734
H 5.238451 -0.813301 -1.769511
H 4.437081 0.182575 -3.013396
H 5.174892 -1.011341 2.095802
H 3.600516 -1.496680 2.785952
H 4.752533 -2.749913 2.253798


