%chk=000026141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026141

0 1
 O   0.8529000      0.3491000      0.6969000    
 O    2.667200      0.8878000      -1.476200    
 O   0.1937000       3.033200       1.105000    
 O   -5.417700      -1.361000      0.1237000    
 N   -2.432300      0.7672000     -0.1993000    
 C   0.5215000       1.214500     -0.3977000    
 C  -0.4702000       2.249200      0.1134000    
 C   -1.721900       1.626300      0.7382000    
 C    1.785800       1.875000     -0.9315000    
 C    1.933600     -0.4451000      0.4177000    
 C    2.806600     -0.1902000     -0.6422000    
 C   -3.593200      0.1547000      0.4325000    
 C    2.149400      -1.541700       1.252600    
 C    3.870500      -1.056500     -0.8949000    
 C   -4.305000     -0.7740000     -0.5382000    
 C    3.221600      -2.400000       1.007600    
 C    4.077700      -2.160700     -6.7800000E-02
 C   -6.140400      -2.227800     -0.7399000    
 H   7.4000001E-02  0.6043000      -1.192900    
 H  -0.7700000       2.921600     -0.7002000    
 H   -2.377900       2.439500       1.075300    
 H   -1.445000       1.071900       1.644500    
 H    1.547000       2.579800      -1.734800    
 H    2.341200       2.417100     -0.1562000    
 H   -1.815700      2.8100001E-02 -0.5327000    
 H   -4.297800      0.9234000      0.7735000    
 H   -3.298900     -0.4174000       1.321600    
 H   0.7349000       3.697400      0.6457000    
 H    1.482200      -1.740100       2.086900    
 H   -3.625700      -1.566300     -0.8761000    
 H   -4.653800     -0.2122000      -1.413300    
 H    4.547200     -0.8727000      -1.724900    
 H    3.387700      -3.258100       1.652300    
 H    4.909300      -2.832900     -0.2587000    
 H   -6.536900      -1.673400      -1.596100    
 H   -6.978800      -2.650700     -0.1800000    
 H   -5.501700      -3.047000      -1.083900    


%chk=000026141-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026141

0 1
O 0.742159 0.332623 0.585066
O 2.752111 0.981602 -1.437087
O 0.085995 3.380795 0.981963
O -5.452544 -1.265096 0.030088
N -2.209473 0.560735 0.144517
C 0.511660 1.366418 -0.461197
C -0.516740 2.387504 0.070100
C -1.652630 1.722109 0.873828
C 1.857848 1.995258 -0.838448
C 1.841182 -0.516899 0.316964
C 2.811355 -0.210257 -0.677403
C -3.596315 0.195515 0.510797
C 1.956601 -1.703669 1.069243
C 3.868459 -1.107018 -0.932136
C -4.105352 -0.909748 -0.422200
C 3.022516 -2.595018 0.820693
C 3.973065 -2.301851 -0.187936
C -6.061657 -2.297469 -0.803008
H 0.074140 0.855365 -1.342650
H -0.947420 2.886393 -0.824695
H -2.450713 2.472054 1.016760
H -1.248051 1.469804 1.877205
H 1.742355 2.770960 -1.614070
H 2.336331 2.422450 0.063036
H -1.572390 -0.243843 0.237980
H -4.240562 1.085902 0.390301
H -3.709606 -0.150576 1.565076
H 0.457417 4.133809 0.458580
H 1.204483 -1.911400 1.837286
H -3.437283 -1.802181 -0.375280
H -4.121056 -0.545995 -1.472474
H 4.597677 -0.846487 -1.705757
H 3.107186 -3.514887 1.408365
H 4.796799 -2.994504 -0.388737
H -6.169412 -1.961838 -1.857203
H -7.059341 -2.491157 -0.378364
H -5.467696 -3.237104 -0.789306


