%chk=000076608.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076608

0 1
 O    1.125800     -0.6235000     -0.1129000    
 O   8.9299999E-02   1.420300      0.3313000    
 O    4.838200      0.9833000      0.7608000    
 O    3.430600      -1.320600       1.423700    
 O    2.609200       2.715900      0.1320000    
 O   0.7382000      -3.096200      -1.242300    
 O   -5.411000     -0.7932000      0.5373000    
 O   -4.012400     -0.6567000       2.224000    
 N   -4.296700     -0.4710000       1.016100    
 C    3.724600      0.5857000     -3.4299999E-02
 C    3.529200     -0.9284000      5.2999999E-02
 C    2.476500       1.328700      0.4413000    
 C    2.240600      -1.327500     -0.6744000    
 C    1.226500      0.7923000     -0.2598000    
 C    1.944900      -2.817900     -0.5547000    
 C   -1.133900       1.064400     -0.1665000    
 C   -2.080900      0.4860000      0.6734000    
 C   -1.421800       1.281800      -1.510600    
 C   -3.327400      0.1217000      0.1643000    
 C   -2.668300      0.9175000      -2.019500    
 C   -3.621100      0.3375000      -1.182200    
 H    3.954400      0.8680000      -1.069400    
 H    4.399100      -1.446700     -0.3639000    
 H    2.379300       1.257300       1.531400    
 H    2.301800      -1.064900      -1.738700    
 H    1.270900       1.052300      -1.325700    
 H    1.805000      -3.126600      0.4861000    
 H    2.745600      -3.418300     -0.9962000    
 H    4.914800       1.950400      0.6922000    
 H    2.584600     -0.9952000       1.774600    
 H    1.792400       3.157700      0.4210000    
 H   4.0199999E-02  -2.547300     -0.8457000    
 H   -1.821000      0.3297000       1.717500    
 H  -0.6997000       1.748400      -2.174100    
 H   -2.898100       1.089400      -3.067100    
 H   -4.581600      6.7000002E-02  -1.613400    


%chk=000076608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076608

0 1
O 1.346128 -0.958013 -0.234954
O -0.047076 0.692420 0.720943
O 4.783261 1.090568 1.058885
O 3.779472 -1.673788 1.124563
O 2.293675 2.494507 0.920937
O 1.318255 -2.981739 -2.161169
O -6.020809 1.192136 0.358582
O -4.683385 1.787380 2.106855
N -4.866934 1.305155 0.924004
C 3.681513 0.677205 0.209012
C 3.787939 -0.841161 -0.078408
C 2.322199 1.031248 0.848970
C 2.607920 -1.225663 -1.004521
C 1.174298 0.487670 -0.017946
C 2.537424 -2.704870 -1.396889
C -1.280021 0.539927 0.045191
C -2.409170 0.967449 0.772117
C -1.414030 -0.005582 -1.255800
C -3.671998 0.851584 0.161742
C -2.699793 -0.097560 -1.835979
C -3.847416 0.328638 -1.138266
H 3.727423 1.210397 -0.770497
H 4.760723 -1.049419 -0.555550
H 2.245640 0.583798 1.861324
H 2.600245 -0.598003 -1.921574
H 1.133029 1.011000 -1.000832
H 2.612149 -3.339505 -0.492422
H 3.373214 -2.950338 -2.072578
H 4.633032 2.043457 1.294212
H 2.855332 -1.672488 1.490571
H 1.514317 2.779212 1.461240
H 0.547293 -2.798608 -1.564781
H -2.312378 1.378745 1.779379
H -0.541966 -0.377294 -1.800282
H -2.801732 -0.518168 -2.841241
H -4.849975 0.261003 -1.566236


