%chk=000026236.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026236

0 1
 O    1.593500      0.6402000     -0.8659000    
 O    3.630300       2.045300      0.4093000    
 N    6.235300      -1.985600      0.7460000    
 C   -4.623300      0.1054000     -0.3304000    
 C   -3.308100      0.8870000     -0.3109000    
 C   -5.855100      0.9777000     -6.9499999E-02
 C   -2.116200     -2.6500000E-02 -0.6083000    
 C   -7.204700      0.2538000     -9.8700002E-02
 C  -0.8023000      0.7604000     -0.6180000    
 C   -7.341100     -0.8237000      0.9775000    
 C   0.4025000     -0.1332000     -0.8864000    
 C   -8.728200      -1.447900      0.9643000    
 C    2.739100      2.4999999E-03 -0.4652000    
 C    3.757800      0.7097000      0.1734000    
 C    2.881300      -1.365000     -0.7011000    
 C    4.918800      4.9300000E-02  0.5760000    
 C    4.042400      -2.025200     -0.2988000    
 C    5.061100      -1.318000      0.3398000    
 C    4.717000       2.693900       1.067000    
 H   -4.567000     -0.6865000      0.4250000    
 H   -4.738800     -0.3897000      -1.302400    
 H   -3.176700       1.360300      0.6695000    
 H   -3.350300       1.690800      -1.055900    
 H   -5.882800       1.776800     -0.8211000    
 H   -5.741000       1.473700      0.9027000    
 H   -2.064700     -0.8197000      0.1472000    
 H   -2.256800     -0.5134000      -1.581000    
 H   -7.999100      0.9990000      3.2000002E-02
 H   -7.351800     -0.1953000      -1.088500    
 H  -0.6633000       1.273000      0.3423000    
 H  -0.8412000       1.552300      -1.376400    
 H   -7.150400     -0.3898000       1.965700    
 H   -6.601800      -1.615900      0.8195000    
 H   0.3012000     -0.6069000      -1.869900    
 H   0.4124000     -0.9100000     -0.1105000    
 H   -9.499200     -0.6952000       1.157100    
 H   -8.938400      -1.916100     -2.7000001E-03
 H   -8.804600      -2.217800       1.738600    
 H    2.127500      -1.948300      -1.221400    
 H    5.743800      0.5460000       1.076200    
 H    4.144700      -3.089600     -0.4943000    
 H    6.974600      -1.474800       1.210100    
 H    6.337900      -2.977200      0.5757000    
 H    4.445400       3.749400       1.172600    
 H    5.631500       2.660700      0.4649000    
 H    4.868200       2.302700       2.078900    


%chk=000026236-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026236

0 1
O 1.574769 0.502518 0.173604
O 3.729231 2.021823 0.520773
N 6.730235 -1.835012 -0.165488
C -4.745010 0.061081 -0.178201
C -3.398988 0.796077 0.010049
C -5.965338 1.008534 -0.097296
C -2.173029 -0.140544 -0.081172
C -7.323917 0.327714 -0.394108
C -0.833976 0.608630 0.104608
C -7.740711 -0.745291 0.639897
C 0.374207 -0.322767 -0.020520
C -9.142181 -1.329378 0.358484
C 2.818259 -0.151002 0.076691
C 3.978448 0.665566 0.262189
C 2.998645 -1.524687 -0.185712
C 5.268125 0.099788 0.180817
C 4.289711 -2.095858 -0.268634
C 5.439891 -1.290151 -0.086818
C 4.887657 2.890974 0.715818
H -4.832882 -0.735184 0.588211
H -4.748723 -0.451410 -1.163653
H -3.395070 1.309843 0.994047
H -3.306307 1.593711 -0.756353
H -5.813922 1.839914 -0.816702
H -6.001638 1.472441 0.910941
H -2.265203 -0.938066 0.685831
H -2.180527 -0.652697 -1.066510
H -8.116395 1.103741 -0.434436
H -7.290068 -0.134269 -1.403474
H -0.805452 1.097384 1.097273
H -0.740666 1.412871 -0.650186
H -7.721829 -0.295548 1.654138
H -6.997628 -1.566768 0.648954
H 0.402062 -0.800601 -1.024106
H 0.338776 -1.124908 0.748579
H -9.913747 -0.536398 0.381578
H -9.179831 -1.802455 -0.641236
H -9.421542 -2.095105 1.105619
H 2.129550 -2.173324 -0.330190
H 6.153764 0.728092 0.323338
H 4.396849 -3.167070 -0.474749
H 7.552175 -1.254430 -0.035732
H 6.862612 -2.822847 -0.356288
H 4.466315 3.890674 0.898364
H 5.532551 2.917560 -0.185357
H 5.490147 2.575435 1.591118


