%chk=000043827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043827

0 1
 O   -2.939700       1.895100      0.2800000    
 O   -8.520300     -0.7460000     -6.5800004E-02
 N   -2.287600     -0.3348000     -8.1299998E-02
 N   -7.292500     -0.4090000     -3.1300001E-02
 C    3.382100     -6.9300003E-02 -1.3700000E-02
 C    5.555500      -1.411800     -0.2249000    
 C    5.456300      0.9339000      -1.118800    
 C    5.446800      0.5276000       1.368400    
 C    4.018700      -1.475600     -0.2409000    
 C    3.919000      0.8634000      -1.139900    
 C    3.909500      0.4560000       1.354500    
 C    6.033800     -0.4711000      -1.339700    
 C    6.024200     -0.8752000       1.134700    
 C    5.920700       1.466100      0.2467000    
 C    1.892800     -0.1391000     -3.1199999E-02
 C    1.253900      -1.362500     -0.2335000    
 C    1.137800       1.019200      0.1546000    
 C  -0.1393000      -1.427700     -0.2505000    
 C  -0.2555000      0.9542000      0.1379000    
 C  -0.8941000     -0.2694000     -6.4499997E-02
 C   -3.202600      0.7132000      8.5800000E-02
 C   -4.635700      0.3204000      4.4700000E-02
 C   -5.567300       1.247400     -0.3585000    
 C   -4.983800     -0.9580000      0.4113000    
 C   -6.904800      0.8669000     -0.3925000    
 C   -6.327900      -1.313700      0.3686000    
 H    5.968100      -2.414000     -0.3870000    
 H    5.804100       1.603900      -1.913100    
 H    5.788100      0.9095000       2.337100    
 H    3.714300      -1.893900      -1.210200    
 H    3.707800      -2.180200      0.5428000    
 H    3.521000       1.880300      -1.031000    
 H    3.579500      0.5049000      -2.121200    
 H    3.563100     -0.1956000       2.168200    
 H    3.511100       1.455200       1.571800    
 H    7.129900     -0.4289000      -1.350500    
 H    5.720700     -0.8566000      -2.317800    
 H    5.704500      -1.551600       1.936900    
 H    7.120100     -0.8401000       1.166500    
 H    7.014600       1.546600      0.2640000    
 H    5.525100       2.476100      0.4101000    
 H    1.767700      -2.304100     -0.3849000    
 H    1.610200       1.984400      0.3142000    
 H  -0.6245000      -2.387700     -0.4090000    
 H  -0.7685000       1.893300      0.2889000    
 H   -2.650500      -1.262800     -0.2801000    
 H   -5.295100       2.255300     -0.6542000    
 H   -4.278900      -1.698200      0.7725000    
 H   -7.709900       1.520300     -0.6954000    
 H   -6.703100      -2.288000      0.6463000    


%chk=000043827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043827

0 1
O -2.993248 1.922132 0.170916
O -8.813524 -0.652790 -0.000547
N -2.346321 -0.318408 -0.111595
N -7.517054 -0.363348 0.010519
C 3.485884 -0.122055 -0.027457
C 5.695658 -1.417357 -0.119368
C 5.558404 0.883284 -1.165217
C 5.514318 0.629668 1.357948
C 4.147447 -1.526278 -0.158846
C 4.010592 0.768671 -1.205933
C 3.967418 0.513503 1.322152
C 6.184642 -0.530229 -1.295457
C 6.140195 -0.783150 1.226337
C 5.995464 1.521612 0.181395
C 1.948380 -0.183763 -0.058478
C 1.226855 -1.393523 -0.231564
C 1.181631 1.004463 0.088867
C -0.181751 -1.413411 -0.249651
C -0.226112 1.009951 0.075101
C -0.924962 -0.215358 -0.093238
C -3.293592 0.692411 0.036807
C -4.730009 0.251520 0.022639
C -5.720746 1.270527 -0.022247
C -5.196818 -1.090966 0.076907
C -7.079131 0.964325 -0.030662
C -6.562685 -1.380855 0.070199
H 6.130134 -2.432511 -0.213828
H 5.896181 1.520436 -2.006688
H 5.821012 1.085443 2.320347
H 3.838181 -2.000576 -1.112690
H 3.802273 -2.184052 0.664934
H 3.557210 1.777586 -1.145228
H 3.684106 0.326178 -2.168568
H 3.609526 -0.110112 2.165924
H 3.515373 1.516234 1.450194
H 7.290812 -0.459535 -1.283656
H 5.894917 -0.986194 -2.263679
H 5.818435 -1.421851 2.073649
H 7.245942 -0.716563 1.267095
H 7.098605 1.626869 0.211560
H 5.567388 2.540152 0.276691
H 1.761142 -2.339908 -0.351868
H 1.693359 1.964958 0.221160
H -0.706581 -2.369539 -0.382817
H -0.790218 1.936556 0.191858
H -2.699081 -1.263762 -0.270358
H -5.393943 2.314090 -0.045581
H -4.520797 -1.949987 0.149846
H -7.883028 1.700057 -0.068072
H -6.982484 -2.386244 0.115351


