%chk=000039627.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039627

0 1
 O    1.861200      -4.248200      0.1225000    
 O  -0.4221000      -3.826500     -0.5107000    
 O  -0.6577000       2.856600      -1.042400    
 N   0.4765000       1.062700     -0.2655000    
 C    2.653700      0.6918000      0.2005000    
 C    1.706900       1.664900     -4.3600000E-02
 C    4.079800       1.001300      0.5140000    
 C    1.985500       3.137600     -3.3799998E-02
 C    4.434400       2.448500      0.1399000    
 C    3.352300       3.431200      0.6090000    
 C    2.014200     -0.5685000      0.1101000    
 C   0.6641000     -0.3272000     -0.2162000    
 C    2.485000      -1.895100      0.2573000    
 C  -0.2215000      -1.397100     -0.4718000    
 C  -0.7333000       1.748600     -0.5191000    
 C    1.583400      -2.917900      3.7200000E-02
 C   0.2844000      -2.676300     -0.3206000    
 C   -2.080800       1.260100     -0.1797000    
 C   0.5830000      -4.818300     -0.2214000    
 C   -2.261400      0.4266000      0.9228000    
 C   -3.173000       1.632700     -0.9617000    
 C   -3.537500     -3.5700001E-02   1.244200    
 C   -4.449300       1.170500     -0.6402000    
 C   -4.631500      0.3363000      0.4629000    
 C   -5.996000     -0.1588000      0.8063000    
 H    4.242600      0.8531000       1.588600    
 H    4.748100      0.3141000     -1.6700000E-02
 H    1.987800       3.504500      -1.067200    
 H    1.212700       3.682300      0.5191000    
 H    5.400800       2.714600      0.5829000    
 H    4.546200       2.531100     -0.9489000    
 H    3.651600       4.459000      0.3745000    
 H    3.262700       3.367000       1.701200    
 H    3.518200      -2.102000      0.5161000    
 H   -1.238000      -1.251300     -0.8124000    
 H   0.7091000      -5.458000      -1.102400    
 H   0.2369000      -5.435900      0.6154000    
 H   -1.438800      0.1579000       1.579400    
 H   -3.051100       2.276500      -1.828700    
 H   -3.668000     -0.6784000       2.110800    
 H   -5.293200       1.464600      -1.258600    
 H   -6.189300      -1.109200      0.2990000    
 H   -6.101400     -0.3091000       1.886100    
 H   -6.764900      0.5616000      0.5069000    


%chk=000039627-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039627

0 1
O 1.920289 -4.353394 0.019865
O -0.373171 -3.956553 -0.581888
O -0.609810 2.835024 -1.339270
N 0.454793 1.034536 -0.300646
C 2.670916 0.697804 0.211347
C 1.718196 1.669164 -0.054447
C 4.105453 1.018598 0.553720
C 1.950639 3.156263 -0.005184
C 4.423303 2.502244 0.229450
C 3.293105 3.440474 0.721109
C 2.032753 -0.602481 0.100996
C 0.649376 -0.382798 -0.224028
C 2.557658 -1.922647 0.216117
C -0.246861 -1.448015 -0.500708
C -0.714831 1.746182 -0.701614
C 1.656852 -2.957335 -0.024207
C 0.304301 -2.724368 -0.377466
C -2.048662 1.212959 -0.284828
C 0.638762 -5.015857 -0.331946
C -2.246871 0.547243 0.953431
C -3.173420 1.501599 -1.100182
C -3.543264 0.166338 1.353330
C -4.462966 1.100973 -0.702082
C -4.671291 0.423151 0.529456
C -6.058570 -0.029452 0.945020
H 4.292606 0.822121 1.630444
H 4.793643 0.352232 -0.003975
H 1.966852 3.572734 -1.030517
H 1.117313 3.673410 0.506760
H 5.386201 2.788598 0.692995
H 4.540193 2.622258 -0.866093
H 3.576862 4.497133 0.557700
H 3.159355 3.303923 1.813058
H 3.604271 -2.113648 0.464455
H -1.289397 -1.306822 -0.784870
H 0.778990 -5.603270 -1.256339
H 0.307440 -5.633686 0.521312
H -1.391207 0.343638 1.605393
H -3.016575 2.051218 -2.034216
H -3.684885 -0.335691 2.317662
H -5.322458 1.320497 -1.346490
H -6.264080 -1.053985 0.577813
H -6.167867 -0.047718 2.043453
H -6.841637 0.629603 0.531210


