%chk=000059974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059974

0 1
 O  -0.9613000      -1.035400      -1.225900    
 O  -0.3263000      -2.944600     -0.1388000    
 O    3.554400      0.2775000     -0.8067000    
 N   -4.600500      0.2418000      0.4004000    
 N    1.192200      -1.229900     -0.6227000    
 C   -2.303800      -1.136000     -0.7687000    
 C   -2.376900     -0.7915000      0.7162000    
 C   -3.176500     -0.1801000      -1.575800    
 C   -3.825100     -0.7186000       1.198700    
 C   -4.600200     -0.1255000      -1.022900    
 C   -5.970600      0.3370000      0.9039000    
 C   -6.736900       1.422400      0.1522000    
 C   -8.160000       1.556600      0.6721000    
 C  -4.2300001E-02  -1.849800     -0.6091000    
 C    2.413500      -1.711000     -9.8399997E-02
 C    3.224900       2.636200     -0.5213000    
 C    3.584600       3.873100      0.2988000    
 C    3.943300       1.394900     -1.1000000E-02
 C    3.564500     -0.9449000     -0.2037000    
 C    2.827300       5.106000     -0.1932000    
 C    2.431700      -2.953800      0.5166000    
 C    3.157100       6.332600      0.6423000    
 C    4.762300      -1.433200      0.3186000    
 C    3.629700      -3.441900       1.038700    
 C    4.794800      -2.681800      0.9396000    
 H   -2.662400      -2.160300     -0.9367000    
 H   -1.841400      -1.529100       1.324000    
 H   -1.871900      0.1667000      0.8999000    
 H   -2.730700      0.8238000      -1.570400    
 H   -3.190800     -0.4919000      -2.627400    
 H   -3.818300     -0.4072000       2.250400    
 H   -4.278100      -1.717900       1.157100    
 H   -5.097600      -1.091200      -1.181800    
 H   -5.110200      0.6170000      -1.641400    
 H   -5.952700      0.6008000       1.968900    
 H   -6.493500     -0.6244000      0.8162000    
 H   -6.836100       1.203000     -0.9141000    
 H   -6.224700       2.387200      0.2476000    
 H   -8.713100      0.6197000      0.5505000    
 H   -8.165900       1.824000       1.733600    
 H   -8.693100       2.339400      0.1231000    
 H    1.232600     -0.3134000      -1.062100    
 H    2.141700       2.463200     -0.4919000    
 H    3.474700       2.794100      -1.577800    
 H    3.346100       3.695000       1.354500    
 H    4.664600       4.054600      0.2378000    
 H    5.028300       1.526100     -9.2100002E-02
 H    3.686600       1.228800       1.043400    
 H    1.747300       4.922600     -0.1489000    
 H    3.080000       5.304400      -1.241200    
 H    1.576200      -3.602200      0.6339000    
 H    2.605800       7.202800      0.2723000    
 H    4.226300       6.562900      0.5959000    
 H    2.883800       6.178300       1.691000    
 H    5.680300     -0.8571000      0.2416000    
 H    3.656700      -4.414200       1.522300    
 H    5.727800      -3.062900       1.344300    


%chk=000059974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059974

0 1
O -1.176418 -0.438355 -0.232306
O -0.515578 -2.685063 0.076197
O 3.125366 0.684565 0.056053
N -5.389081 -0.202821 0.385851
N 1.022463 -0.882985 0.011980
C -2.607371 -0.867160 -0.248682
C -3.150330 -0.976938 1.185154
C -3.377447 0.191074 -1.044740
C -4.667785 -1.256302 1.146984
C -4.888372 -0.126722 -1.009987
C -6.861662 -0.382749 0.464150
C -7.666026 0.857770 0.021912
C -9.181393 0.666865 0.250863
C -0.230510 -1.463526 -0.032258
C 2.266625 -1.533973 0.191879
C 3.651210 3.045870 -0.063949
C 4.732643 4.147096 0.029773
C 4.241872 1.645608 0.112959
C 3.417201 -0.685534 0.218678
C 4.153574 5.568587 -0.155162
C 2.432179 -2.929749 0.345097
C 5.227334 6.672008 -0.045489
C 4.705662 -1.226134 0.395828
C 3.728349 -3.467770 0.522029
C 4.859740 -2.625801 0.548014
H -2.657259 -1.856521 -0.744397
H -2.631897 -1.788142 1.727121
H -2.968477 -0.022455 1.712780
H -3.202326 1.184622 -0.593090
H -3.020302 0.218389 -2.090598
H -5.064723 -1.276434 2.178568
H -4.845362 -2.273282 0.704612
H -5.078464 -1.089571 -1.557957
H -5.435154 0.666748 -1.547403
H -7.110737 -0.596447 1.522496
H -7.200416 -1.273600 -0.129968
H -7.487376 1.073363 -1.049241
H -7.297442 1.732597 0.590447
H -9.564850 -0.203290 -0.315261
H -9.404568 0.495959 1.321009
H -9.749911 1.556989 -0.073871
H 1.065713 0.135602 -0.088806
H 2.880040 3.209602 0.713451
H 3.139365 3.101237 -1.044029
H 5.240672 4.087607 1.015032
H 5.515537 3.971317 -0.737476
H 4.967852 1.413145 -0.693642
H 4.755454 1.550678 1.092356
H 3.364412 5.740964 0.604520
H 3.653991 5.632400 -1.143012
H 1.548563 -3.571042 0.325675
H 4.788314 7.676847 -0.184059
H 6.014161 6.538888 -0.811896
H 5.717997 6.651851 0.945938
H 5.585315 -0.576558 0.416968
H 3.846449 -4.550063 0.639673
H 5.861387 -3.046560 0.685630


