%chk=000063573.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063573

0 1
 O   -5.293000      -2.091300     -0.1180000    
 O   -2.626500       3.550400       1.050400    
 O   0.3902000      -2.055800      0.6783000    
 N   -2.267300      9.1000004E-03  8.6000003E-02
 N  -4.3299999E-02 -0.2759000     -0.7635000    
 N    1.673700       1.261700      -1.347700    
 C   -1.440200     -0.6457000     -0.9302000    
 C   -3.686100     -0.3200000     -7.8900002E-02
 C   -2.086200       1.461000      1.9099999E-02
 C   0.7636000      -1.060700      6.4499997E-02
 C   -3.905400      -1.820500      3.0400001E-02
 C   -2.843800       2.148700       1.143600    
 C    2.168900     -0.6053000      0.1718000    
 C   0.4560000      0.8351000      -1.418600    
 C    2.564100      0.5363000     -0.5383000    
 C    3.080500      -1.305100      0.9692000    
 C    3.891300      0.9675000     -0.4363000    
 C    4.399300     -0.8620000       1.059600    
 C    4.804400      0.2724000      0.3585000    
 H   -1.486500      -1.734700     -0.8509000    
 H   -1.762700     -0.3649000      -1.941300    
 H   -4.080100      4.8900001E-02  -1.035300    
 H   -4.310200      0.1187000      0.7049000    
 H   -2.390800       1.876900     -0.9503000    
 H   -1.048100       1.758900      0.1888000    
 H   -3.586800      -2.201800       1.005900    
 H   -3.403400      -2.396100     -0.7503000    
 H   -2.497200       1.807300       2.124900    
 H   -3.925700       2.019400       1.081000    
 H  -0.2700000       1.358800      -2.059400    
 H    2.783800      -2.191000       1.523400    
 H    4.223100       1.850600     -0.9770000    
 H    5.111800      -1.401100       1.677300    
 H    5.832200      0.6163000      0.4302000    
 H   -5.561700      -1.779900     -0.9992000    
 H   -3.103500       3.964300       1.789900    


%chk=000063573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063573

0 1
O -2.848006 -2.720287 -0.207796
O -2.657920 3.641682 1.285442
O -0.277748 -1.948821 0.169476
N -2.525436 0.351321 -0.470774
N -0.182123 -0.000468 -1.148297
N 1.845427 1.306760 -1.376823
C -1.635993 -0.107109 -1.525457
C -3.790610 -0.410850 -0.304521
C -2.613219 1.811764 -0.268014
C 0.388856 -0.953983 -0.260796
C -3.640549 -1.719204 0.497746
C -2.487244 2.181346 1.217782
C 1.794878 -0.696665 0.093051
C 0.582055 1.056040 -1.659517
C 2.480112 0.428412 -0.475089
C 2.473801 -1.566898 0.987160
C 3.839226 0.664183 -0.129645
C 3.815080 -1.320158 1.319727
C 4.496692 -0.201278 0.759094
H -1.860806 -1.164372 -1.741823
H -1.726497 0.480061 -2.469295
H -4.246174 -0.656041 -1.291238
H -4.508689 0.244903 0.224673
H -3.566025 2.231768 -0.659250
H -1.795477 2.317493 -0.813226
H -4.643849 -2.163993 0.640593
H -3.206875 -1.487083 1.493807
H -1.492899 1.864648 1.594484
H -3.270388 1.659737 1.808644
H 0.057390 1.712515 -2.362534
H 1.925090 -2.420023 1.398661
H 4.341583 1.527367 -0.576016
H 4.341008 -1.988047 2.009808
H 5.543788 -0.016701 1.022844
H -1.873627 -2.534501 -0.040681
H -2.550432 3.946982 2.220297


