%chk=000086322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086322

0 1
 O   -1.645100       1.897600     -0.5541000    
 O   -3.164400     -0.3913000     -9.3699999E-02
 N   0.8657000     -0.7106000      0.2123000    
 C   0.2909000      0.5436000     -0.1084000    
 C    1.218900       1.715000     -0.3258000    
 C    2.315800     -0.8844000      0.3313000    
 C   -1.052800      0.6966000     -0.2319000    
 C   2.5100000E-02  -1.791000      0.4388000    
 C    1.467800       2.465600      0.9633000    
 C   -1.944900     -0.4816000      3.5000001E-03
 C    2.930400      -1.292800     -0.9967000    
 C   -1.307400      -1.766600      0.3613000    
 H    2.171700       1.410200     -0.7672000    
 H   0.8204000       2.406300      -1.077700    
 H    2.819000      2.4000001E-03  0.7270000    
 H    2.534700      -1.668300       1.069000    
 H   0.5406000      -2.711900      0.6904000    
 H    2.168600       3.288900      0.7896000    
 H    1.894100       1.824700       1.741400    
 H   0.5425000       2.898700       1.358500    
 H    2.517700      -2.246700      -1.342300    
 H    2.744400     -0.5514000      -1.779300    
 H    4.013300      -1.413000     -0.8919000    
 H   -1.922500      -2.637900      0.5431000    
 H   -1.003400       2.621000     -0.4979000    


%chk=000086322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086322

0 1
O -1.674503 1.866042 -0.528717
O -3.265283 -0.352030 -0.104484
N 0.890681 -0.720562 0.262525
C 0.336536 0.526057 -0.106860
C 1.255366 1.724779 -0.292466
C 2.358683 -0.951648 0.309870
C -1.049313 0.651647 -0.215314
C 0.050570 -1.804829 0.485508
C 1.437346 2.554411 1.009079
C -1.997651 -0.470625 0.006215
C 2.957643 -1.323542 -1.063181
C -1.321321 -1.714728 0.373716
H 2.242345 1.411466 -0.674347
H 0.850650 2.378227 -1.092481
H 2.856572 -0.059573 0.726309
H 2.535379 -1.771609 1.028617
H 0.550393 -2.738665 0.759738
H 2.075403 3.438575 0.828980
H 1.910121 1.947391 1.802193
H 0.464163 2.900873 1.400070
H 2.488719 -2.241142 -1.459402
H 2.803339 -0.519688 -1.804314
H 4.044270 -1.502519 -0.969248
H -1.945263 -2.590951 0.569329
H -1.013745 2.585743 -0.688731


