%chk=000088833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088833

0 1
 O    1.524600       2.688200     -0.3806000    
 N   -1.526700      0.1394000      0.5056000    
 C   -1.588800     -1.2000000E-02 -0.9550000    
 C   -2.802400      0.6325000       1.043300    
 C   -2.696500     -0.9848000      -1.362400    
 C   -3.949900     -0.3191000      0.7011000    
 C   -4.046900     -0.5532000     -0.8022000    
 C  -0.4330000       1.035200      0.8811000    
 C   0.9018000      0.5158000      0.4171000    
 C    1.201600     -0.8266000      0.6086000    
 C    1.812500       1.370300     -0.1896000    
 C    2.434500      -1.323200      0.1854000    
 C    3.045500      0.8737000     -0.6127000    
 C    3.356500     -0.4731000     -0.4252000    
 C    2.767300      -2.763000      0.3856000    
 H  -0.6594000     -0.4121000      -1.373200    
 H   -1.763700      0.9593000      -1.437400    
 H   -3.029400       1.634700      0.6566000    
 H   -2.739500      0.7113000       2.135400    
 H   -2.453900      -1.991500     -0.9987000    
 H   -2.753700      -1.044700      -2.455200    
 H   -4.895200      9.2100002E-02   1.072800    
 H   -3.795800      -1.278500       1.211100    
 H   -4.369900      0.3711000      -1.296600    
 H   -4.804300      -1.315200      -1.016400    
 H  -0.3808000       1.123800       1.974400    
 H  -0.6280000       2.042600      0.4928000    
 H   0.4979000      -1.494600       1.098900    
 H    3.773300       1.524800      -1.089500    
 H    4.321200     -0.8472000     -0.7576000    
 H    3.488800      -3.112100     -0.3609000    
 H    3.194800      -2.914700       1.381800    
 H    1.874700      -3.389900      0.2856000    
 H    2.279900       3.118000     -0.8173000    


%chk=000088833-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088833

0 1
O 1.787952 2.841228 -0.163447
N -1.542769 0.262585 0.310359
C -1.794906 0.007715 -1.131732
C -2.783466 0.668966 1.015585
C -2.847674 -1.102058 -1.323525
C -3.868972 -0.420135 0.893916
C -4.159935 -0.742579 -0.590293
C -0.432927 1.223294 0.519394
C 0.940383 0.616346 0.248704
C 1.172159 -0.772420 0.351330
C 2.039925 1.450819 -0.083333
C 2.449184 -1.350938 0.130925
C 3.321625 0.905387 -0.314949
C 3.520443 -0.489853 -0.207934
C 2.656117 -2.850841 0.265213
H -0.839850 -0.282849 -1.605236
H -2.147501 0.943424 -1.643193
H -3.188846 1.633256 0.605726
H -2.537778 0.842829 2.080463
H -2.443912 -2.050628 -0.918691
H -3.032396 -1.251313 -2.404932
H -4.789340 -0.081564 1.408068
H -3.513107 -1.334189 1.408033
H -4.618494 0.144794 -1.074698
H -4.891568 -1.568909 -0.671183
H -0.470421 1.557510 1.576272
H -0.549124 2.146945 -0.096532
H 0.309430 -1.400039 0.606711
H 4.162768 1.561819 -0.576464
H 4.518366 -0.906520 -0.388844
H 3.677103 -3.146183 -0.033370
H 2.502758 -3.186535 1.308867
H 1.943163 -3.416272 -0.363595
H 2.608708 3.324204 -0.430917


