%chk=000097125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097125

0 1
 O   -2.128100       1.905700      0.1134000    
 O    2.230600     -0.4143000      -2.283300    
 O   -3.839100     -0.2794000     -3.0500000E-02
 O    4.001900       1.127600       1.657500    
 N    2.363100     -0.4745000       1.187100    
 N    3.346500      0.5829000     -0.5078000    
 C    1.750100      -1.056300      1.7400000E-02
 C   0.2736000     -0.8478000      4.9000001E-03
 C    2.446400     -0.2797000      -1.086800    
 C  -0.2487000      0.4443000      6.5700002E-02
 C  -0.5853000      -1.944600     -6.7100003E-02
 C    3.321000      0.4896000      0.8662000    
 C   -1.629900      0.6394000      5.4499999E-02
 C   -2.488600     -0.4576000     -1.7600000E-02
 C   -1.966300      -1.749500     -7.8299999E-02
 C   -2.344500       2.575600      -1.127200    
 C   -4.502700     -0.2616000       1.231700    
 H    2.044300      -2.109400     -3.4200002E-02
 H    2.149200     -0.7542000       2.139500    
 H   0.4056000       1.310700      0.1238000    
 H  -0.1921000      -2.956600     -0.1151000    
 H    3.947000       1.214000      -1.025700    
 H   -2.629400      -2.608500     -0.1355000    
 H   -3.067600       2.028000      -1.739900    
 H   -1.401200       2.689900      -1.670600    
 H   -2.748100       3.569200     -0.9141000    
 H   -4.126500      0.5568000       1.853600    
 H   -4.370200      -1.217600       1.748000    
 H   -5.570300     -0.1043000       1.055400    


%chk=000097125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097125

0 1
O -2.150388 1.873669 0.453928
O 2.464765 -1.141825 -2.209034
O -3.848441 -0.398645 -0.298939
O 4.260032 1.418616 1.326781
N 2.526179 -0.215427 1.242740
N 3.565622 0.299441 -0.674374
C 1.864826 -1.062180 0.240176
C 0.355695 -0.863315 0.121446
C 2.638227 -0.670540 -1.064423
C -0.230895 0.403574 0.349607
C -0.463108 -1.947687 -0.273806
C 3.528835 0.596701 0.728675
C -1.619966 0.587464 0.201761
C -2.449986 -0.519786 -0.146722
C -1.856829 -1.774231 -0.404247
C -2.800751 2.513743 -0.716135
C -4.580552 0.006709 0.925661
H 2.071580 -2.136510 0.419778
H 2.272835 -0.190672 2.228295
H 0.376922 1.268996 0.634603
H -0.015222 -2.926840 -0.476781
H 4.223617 0.758600 -1.304364
H -2.510344 -2.604217 -0.690161
H -3.621794 1.886003 -1.106474
H -2.053519 2.691375 -1.512022
H -3.188967 3.473713 -0.343981
H -4.190980 0.959934 1.325360
H -4.496584 -0.785055 1.693781
H -5.630110 0.116193 0.613869


