%chk=000110319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110319

0 1
 O   -2.177500      0.1375000     -0.4645000    
 O   -3.881400      -1.411800     -0.3216000    
 N   0.6318000      0.2090000     -0.6887000    
 N    1.934700       4.742900      0.5075000    
 C  -0.2071000     -1.9800000E-02  -1.842100    
 C   0.6459000       1.543300     -8.7800004E-02
 C    1.430800     -0.8104000     -0.1531000    
 C   -1.502700     -0.6901000      -1.417600    
 C    1.859900       2.338300     -0.5571000    
 C    2.245300     -0.5603000      0.9571000    
 C    1.421800      -2.088100     -0.7238000    
 C    3.040800      -1.574700       1.489600    
 C    2.217300      -3.102600     -0.1911000    
 C    3.026800      -2.845800      0.9155000    
 C   -3.364700     -0.3513000      2.4999999E-03
 C   -3.943200      0.6330000      0.9917000    
 C    1.900600       3.682100      3.8500000E-02
 C   -5.279100      0.1689000       1.545200    
 H  -0.4558000      0.9447000      -2.304700    
 H   0.3029000     -0.5836000      -2.631100    
 H   0.5702000       1.501700       1.006100    
 H  -0.2590000       2.090100     -0.3881000    
 H   -1.326500      -1.674100     -0.9711000    
 H   -2.145400     -0.8169000      -2.296800    
 H    1.831600       2.432700      -1.650000    
 H    2.796700       1.821200     -0.3260000    
 H    2.300400      0.4017000       1.454400    
 H   0.8185000      -2.349900      -1.586300    
 H    3.670600      -1.376200       2.351900    
 H    2.207800      -4.092600     -0.6378000    
 H    3.646100      -3.635800       1.330200    
 H   -3.231500      0.7551000       1.815100    
 H   -4.075500       1.595400      0.4861000    
 H   -5.178200     -0.7907000       2.063100    
 H   -5.672600      0.9018000       2.256200    
 H   -6.013800      4.0700000E-02  0.7433000    


%chk=000110319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000110319

0 1
O -2.310032 0.185207 -0.464516
O -4.008300 -1.388754 -0.214675
N 0.704489 0.110715 -0.569523
N 1.649868 4.769061 0.727738
C -0.233261 -0.121283 -1.677836
C 0.662949 1.419959 0.086799
C 1.600865 -0.895696 -0.146765
C -1.543181 -0.809952 -1.267955
C 1.749441 2.397964 -0.482716
C 2.565241 -0.646150 0.880285
C 1.579806 -2.202891 -0.727176
C 3.457317 -1.654349 1.297467
C 2.484693 -3.197680 -0.304233
C 3.433392 -2.939938 0.710810
C -3.556700 -0.247163 0.020041
C -4.221462 0.855094 0.828645
C 1.711542 3.713019 0.174115
C -5.585586 0.431748 1.401288
H -0.486004 0.851338 -2.138936
H 0.251434 -0.726404 -2.467238
H 0.799903 1.313291 1.177790
H -0.336733 1.859115 -0.063447
H -1.370409 -1.709760 -0.652671
H -2.145339 -1.093924 -2.151668
H 1.588710 2.531890 -1.569110
H 2.754328 1.954291 -0.357112
H 2.627717 0.333787 1.362784
H 0.853011 -2.460302 -1.503038
H 4.181305 -1.426019 2.088269
H 2.437693 -4.188582 -0.770789
H 4.130448 -3.718042 1.037219
H -3.523285 1.152870 1.634424
H -4.319581 1.743839 0.175805
H -5.482115 -0.444144 2.064050
H -6.029951 1.259417 1.981423
H -6.285713 0.153830 0.595153


