%chk=000157563.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157563

0 1
 O    2.676700      -2.416700      -1.020700    
 O  -5.1300000E-02   3.183900     -0.2101000    
 O   -2.087100       1.662000      0.4513000    
 C    2.158300     -0.3242000      2.3600001E-02
 C    2.959800      -1.579100      0.1062000    
 C   4.5499999E-02  0.7958000     -1.3500000E-02
 C   0.7653000     -0.3805000      6.5399997E-02
 C    2.803300      0.9069000     -9.6500002E-02
 C   0.6621000       2.025300     -0.1324000    
 C    2.685000      -2.374700       1.386000    
 C    2.055200       2.081600     -0.1743000    
 C   -1.436200      0.7134000      3.0400001E-02
 C   -2.070700     -0.5193000     -0.5163000    
 C   -3.250800      -1.025400     -0.1142000    
 C   -3.781900      -2.283500     -0.7514000    
 C   -4.133100     -0.4656000      0.9665000    
 H    4.031000      -1.347500      6.6000000E-02
 H   0.2789000      -1.344700      0.1752000    
 H    3.887700      0.9678000     -0.1307000    
 H    1.663900      -2.770500       1.411400    
 H    2.846100      -1.763100       2.279700    
 H    3.350100      -3.244100       1.437500    
 H    2.571000       3.033600     -0.2675000    
 H   -1.514300      -1.033800      -1.296400    
 H    3.231600      -3.211400     -0.9413000    
 H   -3.127200      -2.659500      -1.544700    
 H   -4.765200      -2.095500      -1.195300    
 H   -3.883600      -3.075600     -2.2000000E-03
 H   -3.625100      0.2495000       1.616700    
 H   -5.006200      2.4300000E-02  0.5242000    
 H   -4.487400      -1.271400       1.619200    
 H   0.5652000       3.932000     -0.2888000    


%chk=000157563-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157563

0 1
O 2.259825 -2.830169 -0.459940
O -0.215267 3.025919 -0.025899
O -2.118611 1.232033 1.174331
C 2.212740 -0.454351 -0.031688
C 3.085914 -1.701266 0.013964
C -0.018171 0.611992 0.133265
C 0.809095 -0.539124 0.098071
C 2.804332 0.824903 -0.153708
C 0.601887 1.889331 0.007290
C 3.623558 -1.981314 1.437209
C 2.007661 1.987081 -0.138739
C -1.504592 0.458729 0.368295
C -2.174423 -0.642633 -0.364020
C -3.495763 -1.003405 -0.225153
C -4.068741 -2.127530 -1.063719
C -4.459344 -0.330296 0.730858
H 3.948355 -1.560819 -0.674531
H 0.359179 -1.533018 0.180244
H 3.890863 0.920037 -0.273144
H 2.782280 -2.151687 2.132007
H 4.210562 -1.123682 1.811689
H 4.280997 -2.872931 1.448323
H 2.476013 2.973766 -0.253835
H -1.561203 -1.184627 -1.094541
H 2.754111 -3.674219 -0.305398
H -3.323885 -2.566315 -1.748656
H -4.926438 -1.762801 -1.663383
H -4.465810 -2.932225 -0.413473
H -4.046377 -0.288131 1.754029
H -4.609809 0.728698 0.449782
H -5.436023 -0.845516 0.741997
H 0.333688 3.843573 -0.128526


