%chk=000070397.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070397

0 1
 O   0.6449000       3.490300     -0.5466000    
 O   0.4504000      -3.573900      0.1626000    
 O   -3.349000       1.316600     -0.6463000    
 N   0.7300000       1.176000     -0.3024000    
 N   0.6256000      -1.251000      0.1584000    
 N   -1.432300      8.7899998E-02 -0.1576000    
 C    1.446600     -3.5500001E-02  0.1050000    
 C  -0.5632000      0.9590000     -0.9416000    
 C  -0.7911000      -1.067000      0.4780000    
 C    1.242000       2.468500     -0.2059000    
 C    1.134400      -2.550300      0.1182000    
 C   -2.796000      0.3687000     -8.7399997E-02
 C    2.606100       2.614900      0.3442000    
 C    2.601000      -2.705300      2.4599999E-02
 C   -3.631600     -0.5414000      0.7239000    
 C    2.900500       3.728600       1.001000    
 C    3.080000      -3.774000     -0.5977000    
 C   -4.898100     -0.7121000      0.3697000    
 H    2.267700     -0.1806000     -0.6045000    
 H    1.872800      0.1190000       1.102600    
 H   -1.060300       1.910400      -1.153400    
 H  -0.3802000      0.4649000      -1.903600    
 H   -1.360500      -1.967800      0.2255000    
 H  -0.8559000     -0.9259000       1.563500    
 H    3.339200       1.828600      0.2200000    
 H    3.262100      -1.964500      0.4554000    
 H   -3.215600      -1.060600       1.577300    
 H    3.892800       3.863000       1.419600    
 H    2.189000       4.532300       1.156300    
 H    4.152900      -3.915400     -0.6809000    
 H    2.448100      -4.532000      -1.047700    
 H   -5.535000      -1.377700      0.9436000    
 H   -5.346800     -0.2197000     -0.4862000    


%chk=000070397-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070397

0 1
O 0.795334 3.748253 0.446467
O 0.154604 -2.850962 1.404319
O -3.143140 0.578593 -1.475213
N 0.597374 1.543983 -0.250856
N 0.555152 -0.732453 0.532579
N -1.492234 0.464531 0.146271
C 1.088086 0.192733 -0.522942
C -0.872798 1.706101 -0.386806
C -0.677387 -0.197181 1.174719
C 1.345920 2.616175 0.275275
C 0.837587 -2.099808 0.632772
C -2.586034 -0.086825 -0.543729
C 2.784200 2.377742 0.620530
C 1.978980 -2.617730 -0.185588
C -3.052812 -1.452239 -0.143923
C 3.581130 3.422441 0.963104
C 2.341750 -3.923817 -0.113474
C -4.197635 -1.956276 -0.672336
H 0.718421 -0.126624 -1.518995
H 2.185358 0.179523 -0.546447
H -1.160349 2.609548 0.177729
H -1.198974 1.824998 -1.435368
H -1.191424 -1.031884 1.666594
H -0.401815 0.547521 1.941882
H 3.186111 1.359319 0.639086
H 2.518359 -1.933882 -0.851507
H -2.455052 -2.057017 0.546495
H 4.627862 3.276876 1.250061
H 3.176096 4.440858 0.965810
H 3.171173 -4.325550 -0.704977
H 1.795563 -4.604328 0.549779
H -4.551753 -2.960567 -0.416857
H -4.787151 -1.358052 -1.376853


