%chk=000022962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022962

0 1
 O   0.5735000      -1.619800      -1.395700    
 O   -1.329700     -0.5351000       1.717400    
 O  -0.5880000       4.364600      0.4536000    
 O    1.454800       3.424400      0.7636000    
 N    2.233500      -1.068200      0.1455000    
 N   -1.017900      0.1903000     -0.4642000    
 C    2.919000      -2.349900     -3.4400001E-02
 C    2.784100     -0.1019000       1.102500    
 C    4.095300      -2.229800     -0.9985000    
 C    4.260900     -0.2517000       1.464700    
 C    5.357300      -1.648900     -0.3655000    
 C    5.190600     -0.2623000      0.2529000    
 C   0.3785000      0.4979000     -0.3461000    
 C    1.060800     -0.8279000     -0.5849000    
 C   0.8644000       1.519100      -1.368900    
 C   0.1722000       2.878300      -1.234600    
 C   -1.771200     -0.3093000      0.5938000    
 C   0.4416000       3.554900      9.1399997E-02
 C   -3.198300     -0.6016000      0.3025000    
 C   -3.844200      -1.570100       1.042700    
 C   -3.832300      0.1051000     -0.6984000    
 C   -5.184300      -1.844500      0.7694000    
 C   -5.172400     -0.1694000     -0.9715000    
 C   -5.848400      -1.144200     -0.2374000    
 H    2.209200      -3.072600     -0.4532000    
 H    3.216900      -2.746100      0.9423000    
 H    2.181800     -0.1830000       2.015100    
 H    2.647900      0.9101000      0.7149000    
 H    4.342600      -3.231500      -1.371400    
 H    3.811200      -1.629500      -1.871600    
 H    4.530200      0.6011000       2.101100    
 H    4.420900      -1.146000       2.078400    
 H    5.732100      -2.343800      0.3968000    
 H    6.134700      -1.594000      -1.137600    
 H    4.853300      0.4569000     -0.5029000    
 H    6.182400      7.2200000E-02  0.5822000    
 H   0.5332000      0.8488000      0.6762000    
 H   0.6818000       1.143400      -2.384700    
 H    1.949900       1.652600      -1.289000    
 H   -1.419600      0.2376000      -1.394900    
 H  -0.9096000       2.756500      -1.360300    
 H   0.5250000       3.551600      -2.023500    
 H   -3.340400      -2.127900       1.826300    
 H   -3.351200      0.8933000      -1.268200    
 H  -0.4161000       4.813800       1.308500    
 H   -5.710500      -2.604000       1.340200    
 H   -5.692300      0.3809000      -1.750300    
 H   -6.892200      -1.356700     -0.4490000    


%chk=000022962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022962

0 1
O 0.755871 -1.871627 -1.300816
O -1.945022 1.144511 1.305660
O -0.083710 4.351240 1.266662
O 1.458534 2.666515 1.643406
N 2.409699 -1.270642 0.224967
N -1.028301 -0.161732 -0.378601
C 3.196145 -2.464808 -0.179276
C 2.947089 -0.404635 1.306937
C 4.165649 -2.152744 -1.344713
C 4.481409 -0.196441 1.224965
C 5.378937 -1.273326 -0.958890
C 5.039280 0.038160 -0.203875
C 0.362312 0.183218 -0.050558
C 1.203605 -1.067309 -0.406701
C 0.872473 1.403189 -0.882356
C 0.201107 2.732433 -0.490925
C -2.098294 0.293846 0.362958
C 0.603065 3.197385 0.893989
C -3.461647 -0.250276 0.009771
C -4.541714 0.126269 0.848949
C -3.714194 -1.097867 -1.101524
C -5.847305 -0.338859 0.590514
C -5.022245 -1.561610 -1.361370
C -6.092168 -1.185915 -0.516068
H 2.477369 -3.238147 -0.498731
H 3.744689 -2.837201 0.705867
H 2.694246 -0.849473 2.292116
H 2.457780 0.580630 1.262505
H 4.532867 -3.112757 -1.759612
H 3.577282 -1.668769 -2.147480
H 4.708143 0.675808 1.867917
H 5.014012 -1.056681 1.676586
H 6.070435 -1.865867 -0.323553
H 5.940653 -1.026410 -1.881852
H 4.322258 0.642394 -0.796436
H 5.965319 0.640788 -0.127171
H 0.404648 0.428996 1.023667
H 0.677576 1.192333 -1.950141
H 1.967798 1.497549 -0.759084
H -1.102369 -0.931671 -1.055846
H -0.899409 2.655419 -0.511609
H 0.472968 3.532016 -1.207582
H -4.323562 0.786274 1.694911
H -2.910057 -1.399418 -1.782613
H 0.172547 4.603175 2.195090
H -6.672349 -0.042879 1.247777
H -5.206357 -2.213372 -2.222486
H -7.106061 -1.548011 -0.720046


