%chk=000072513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072513

0 1
 O   -1.751900      0.2047000     -5.1500000E-02
 O   -3.388100      0.7052000      -2.261800    
 O   -1.579700       2.140200       1.903100    
 O    4.523100     -0.8264000     -0.6727000    
 O   -2.467000      -2.283100     -0.7830000    
 N   0.2588000     -0.5238000      0.8139000    
 N    1.171400       1.443100     -0.2929000    
 N    2.076300      -1.830300      0.6370000    
 N    3.444200       1.192700      -1.050500    
 C   -1.080500     -0.1146000       1.156600    
 C    1.213400      0.1924000      0.1764000    
 C    2.315700     -0.6090000      7.2700001E-02
 C   -3.142600     -8.6400002E-02 -2.9000000E-03
 C   0.8307000      -1.749200       1.074200    
 C   -3.875900      0.8631000     -0.9372000    
 C   -1.047700       1.056000       2.118700    
 C    3.525400     -0.1231000     -0.5705000    
 C    2.337900       1.870400     -0.8974000    
 C   -3.363400      -1.522100     -0.4323000    
 H   -1.558600     -0.9579000       1.670600    
 H   -3.539100      3.7599999E-02   1.012100    
 H   0.2934000      -2.539200       1.581400    
 H   0.3592000       2.047600     -0.2264000    
 H   -3.691900       1.901900     -0.6458000    
 H   -4.955800      0.6835000     -0.9380000    
 H  -0.5235000      0.8702000       3.072800    
 H    2.265700       2.903800      -1.271700    
 H   -4.411400      -1.867200     -0.4019000    
 H   -3.679400     -0.1636000      -2.586300    


%chk=000072513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072513

0 1
O -1.671297 0.477811 0.573004
O -2.195607 1.256349 -2.010131
O -2.645313 -0.965440 3.127181
O 4.668262 0.145976 -0.594053
O -2.844105 -1.759946 -0.954675
N 0.356007 -0.511750 1.121021
N 0.562086 0.606464 -1.133666
N 2.593955 -0.820368 1.505688
N 2.846148 0.885301 -1.902776
C -1.081192 -0.672111 1.292962
C 1.037165 0.001729 0.012792
C 2.413913 -0.184612 0.260404
C -3.077820 0.424258 0.171431
C 1.366941 -1.003359 1.995549
C -3.156876 1.522293 -0.938249
C -1.534367 -0.522347 2.758912
C 3.422452 0.263437 -0.717807
C 1.544521 1.022064 -2.043249
C -3.575877 -0.894589 -0.420449
H -1.446773 -1.622268 0.862220
H -3.739984 0.707804 1.015755
H 1.129083 -1.493192 2.937735
H -0.439483 0.809591 -1.302334
H -2.838943 2.477813 -0.493745
H -4.190766 1.622537 -1.320741
H -0.876054 0.088863 3.420203
H 1.147361 1.506652 -2.943578
H -4.689043 -1.002281 -0.391592
H -2.525696 0.549820 -2.621113


