%chk=000001830.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001830

0 1
 I   -4.265400       2.317000      0.5096000    
 O    1.826900      0.1062000       1.052700    
 O    2.650600       2.771500     -0.6644000    
 O    1.979800     -0.5278000      -1.883700    
 O    3.625800      -1.945700       1.722700    
 N  -0.2632000       1.007900      0.3902000    
 N  -0.1678000      -1.344500     -0.1322000    
 N   -2.366700      -2.339800     -0.4504000    
 N   -4.387600      -1.110700     -0.2631000    
 C    1.172800       1.267500      0.5107000    
 C    1.846700       1.604700     -0.8224000    
 C    2.726100      0.4023000      -1.109400    
 C    3.019000     -0.1352000      0.2869000    
 C    3.373400      -1.608500      0.3681000    
 C  -0.8381000     -0.2015000      9.4499998E-02
 C   -1.248600       1.949300      0.5582000    
 C   -2.216700     -2.9600000E-02  7.3200002E-02
 C   -2.468000       1.335000      0.3677000    
 C   -2.982800      -1.158800     -0.2128000    
 C   -1.016000      -2.359200     -0.3961000    
 H    1.283900       2.076700       1.242500    
 H    1.122400       1.810400      -1.618300    
 H    3.643600      0.6501000      -1.652600    
 H    3.807300      0.4627000      0.7624000    
 H    4.267600      -1.828400     -0.2229000    
 H    2.548400      -2.240900      2.7100001E-02
 H  -0.9945000       2.974200      0.7969000    
 H    3.097300       2.933600      -1.512800    
 H    2.579200      -1.252100      -2.131000    
 H    3.855100      -2.890500       1.744700    
 H  -0.5526000      -3.320300     -0.5914000    
 H   -4.878500     -0.2441000     -9.0700001E-02
 H   -4.901500      -1.955200     -0.4747000    


%chk=000001830-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001830

0 1
I -4.173107 1.919814 1.755613
O 1.936039 0.194660 1.081554
O 2.677183 2.601813 -1.022061
O 2.260391 -1.039087 -1.791227
O 3.842922 -1.646412 2.214086
N -0.191909 0.967838 0.324188
N -0.286165 -1.095287 -1.024270
N -2.505828 -2.075105 -1.226333
N -4.415855 -1.169017 -0.237780
C 1.249529 1.247692 0.327752
C 1.935999 1.330996 -1.070065
C 2.880743 0.087604 -1.136597
C 3.212898 -0.142104 0.360056
C 3.583868 -1.564228 0.770757
C -0.848425 -0.115210 -0.257168
C -1.141148 1.729179 1.033261
C -2.241948 -0.034245 0.073333
C -2.395949 1.146758 0.890187
C -3.066824 -1.082377 -0.454007
C -1.170237 -2.032152 -1.471466
H 1.382135 2.227201 0.825204
H 1.214227 1.316238 -1.908737
H 3.796375 0.320533 -1.710466
H 3.986620 0.576783 0.697761
H 4.525913 -1.864054 0.282833
H 2.783527 -2.260640 0.456691
H -0.842973 2.620134 1.580725
H 3.164314 2.726549 -1.874841
H 1.280489 -1.132575 -1.467545
H 3.033031 -1.314808 2.679946
H -0.760633 -2.833600 -2.091972
H -4.914847 -0.481106 0.323997
H -4.912455 -1.955487 -0.654212


