%chk=000058811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058811

0 1
 O    3.017400      -1.376300     -0.8587000    
 O  -0.4816000     -0.6995000     -0.4851000    
 O   0.7245000      -1.829900      -2.088600    
 N   -3.476100      -1.090400      0.3828000    
 C    1.871000     -0.9005000     -0.1407000    
 C    1.798900      -1.682300       1.214700    
 C    1.992100      0.6240000     -1.3400000E-02
 C    1.630800      -3.201200       1.028400    
 C    3.045600      -1.450200       2.084300    
 C   0.6607000      -1.212100      -1.032200    
 C    1.331500       1.249000       1.016500    
 C    2.756200       1.299100     -0.9342000    
 C    1.441600       2.634700       1.132500    
 C    2.866300       2.684800     -0.8180000    
 C   -1.680800     -0.9212000      -1.233600    
 C    2.209100       3.352500      0.2154000    
 C   -2.835700     -0.3013000     -0.5033000    
 C   -3.172100       1.011700     -0.7719000    
 C   -4.247000       1.556500     -7.8299999E-02
 C   -4.515700     -0.5267000       1.037700    
 C   -4.936900      0.7793000      0.8456000    
 H   0.9204000      -1.359300       1.785600    
 H    1.512100      -3.692400       2.001000    
 H   0.7395000      -3.436900      0.4390000    
 H    2.498600      -3.653800      0.5387000    
 H    3.954600      -1.800700       1.583800    
 H    2.958800      -1.994200       3.031600    
 H    3.183100     -0.3946000       2.333200    
 H   0.7104000      0.7277000       1.734500    
 H    3.264900      0.8097000      -1.758000    
 H    2.885800      -2.315200      -1.070500    
 H   0.9257000       3.155600       1.933900    
 H    3.460300       3.244800      -1.534500    
 H   -1.850100      -2.000100      -1.335900    
 H   -1.582300     -0.4898000      -2.237100    
 H    2.293000       4.431600      0.3045000    
 H   -2.625100       1.609600      -1.492600    
 H   -4.546000       2.585000     -0.2566000    
 H   -5.020300      -1.174300       1.747100    
 H   -5.777700       1.183100       1.397900    


%chk=000058811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058811

0 1
O 2.500997 -1.175469 -1.322118
O -0.616882 -1.320593 0.597829
O -0.082814 -1.748301 -1.628637
N -4.227397 -0.911246 -0.190905
C 1.691162 -0.917391 -0.131660
C 2.269859 -1.773307 1.054328
C 1.693578 0.597362 0.190023
C 2.158787 -3.285075 0.756895
C 3.736079 -1.373235 1.330146
C 0.248336 -1.366734 -0.478710
C 1.057111 1.108134 1.351501
C 2.367389 1.492611 -0.674716
C 1.094333 2.491024 1.637120
C 2.401788 2.876451 -0.388731
C -2.026063 -1.732902 0.353380
C 1.765714 3.382447 0.767496
C -2.919169 -0.555904 -0.006952
C -2.455064 0.772521 -0.137170
C -3.387142 1.777178 -0.485212
C -5.112443 0.069804 -0.523238
C -4.740668 1.424874 -0.684934
H 1.655573 -1.538959 1.945450
H 2.580304 -3.867378 1.595912
H 1.110134 -3.610219 0.620334
H 2.724750 -3.538279 -0.156761
H 4.352053 -1.545561 0.430422
H 4.144105 -1.983729 2.156362
H 3.825766 -0.309450 1.611604
H 0.524380 0.431827 2.027978
H 2.872269 1.083654 -1.554088
H 1.882486 -1.479705 -2.044144
H 0.600431 2.870687 2.538844
H 2.930442 3.556609 -1.066278
H -2.352991 -2.189101 1.301007
H -2.054351 -2.485478 -0.453965
H 1.795167 4.454826 0.991280
H -1.402724 1.015217 0.033599
H -3.057738 2.815454 -0.597640
H -6.151241 -0.250676 -0.663164
H -5.490805 2.173812 -0.956989


