%chk=000131893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131893

-1 1
 O   -3.379000       1.454800      0.5121000    
 O   -2.877200      -2.735700     -0.3476000    
 O  -0.7722000      -2.117600     -0.9097000    
 N   0.6909000      0.4203000       1.643000    
 N   -2.094900       1.865500      0.1751000    
 C    3.881100     -0.9344000      0.9381000    
 C    3.421900      0.5274000      0.7711000    
 C    2.265900      0.6986000     -0.1840000    
 C   0.9564000      0.6414000      0.2699000    
 C  -9.1799997E-02  0.8031000     -0.6362000    
 C    2.737400      -1.847600       1.386600    
 C    4.463700      -1.448300     -0.3809000    
 C    2.550100      0.9142000      -1.525200    
 C   -1.466000      0.7516000     -0.2105000    
 C   0.1810000       1.020400      -1.986800    
 C    1.502000       1.075900      -2.431300    
 C   -2.294500     -0.3814000     -0.1386000    
 C   -3.485500      0.1150000      0.3212000    
 C   0.5635000       1.485000       2.585000    
 C   -4.788900     -0.4865000      0.6325000    
 C   -1.963800      -1.821600     -0.4840000    
 H    4.672200     -0.9586000       1.697700    
 H    4.268100       1.136800      0.4238000    
 H    3.184200      0.9435000       1.755700    
 H    1.946400      -1.946000      0.6379000    
 H    2.310200      -1.507900       2.334500    
 H    3.124100      -2.858400       1.563800    
 H    4.944000      -2.420500     -0.2213000    
 H    3.699500      -1.595800      -1.150200    
 H    5.229100     -0.7685000     -0.7697000    
 H    3.573400      0.9680000      -1.885900    
 H  -0.6231000       1.148600      -2.707800    
 H    1.714500       1.246600      -3.482600    
 H   7.4800000E-02 -0.3715000       1.809500    
 H    1.424100       2.160200       2.557700    
 H   0.4928000       1.076700       3.597900    
 H  -0.3385000       2.075600       2.400600    
 H   -5.503400      0.2649000      0.9836000    
 H   -5.215500     -0.9638000     -0.2551000    
 H   -4.687300      -1.242900       1.416800    


%chk=000131893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131893

-1 1
O -3.674879 1.493341 -0.526539
O -3.210769 -2.556416 0.755082
O -1.092912 -1.881105 1.437419
N 0.585416 0.171955 1.630260
N -2.262973 1.750349 -0.846903
C 4.065312 -0.999320 0.740484
C 3.412427 0.421714 0.877600
C 2.277560 0.702532 -0.100855
C 0.906626 0.520171 0.293979
C -0.128209 0.667083 -0.694030
C 3.020757 -2.133842 0.856754
C 4.906757 -1.160292 -0.549007
C 2.577447 1.075823 -1.432814
C -1.589430 0.656115 -0.376971
C 0.219714 0.994210 -2.033684
C 1.560481 1.213019 -2.404801
C -2.492267 -0.318831 0.228407
C -3.759767 0.241519 0.099169
C 0.594342 1.196668 2.676928
C -5.118844 -0.237413 0.489586
C -2.245972 -1.701121 0.846052
H 4.763607 -1.085865 1.603188
H 4.213597 1.180495 0.752607
H 3.033593 0.497762 1.909695
H 2.332700 -2.125202 -0.007639
H 2.392158 -2.013021 1.755228
H 3.519671 -3.122396 0.890680
H 5.418826 -2.142250 -0.555431
H 4.262678 -1.111006 -1.445767
H 5.677817 -0.368951 -0.635024
H 3.626210 1.239258 -1.714027
H -0.586010 1.109842 -2.766525
H 1.810252 1.487719 -3.436435
H -0.159667 -0.586630 1.682096
H 1.596924 1.656131 2.813466
H 0.309293 0.724610 3.635354
H -0.118664 2.035009 2.487145
H -5.856302 -0.031777 -0.307233
H -5.026820 -1.324897 0.661081
H -5.470982 0.252109 1.418122


