%chk=000159912.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159912

0 1
 O   -2.009100      3.5799999E-02   1.015700    
 O   -3.867600       2.176900     -0.1391000    
 O   -3.279200      -2.456300      0.8419000    
 O    1.169700       2.387700      9.4499998E-02
 O    3.692800      -1.502400     -0.4234000    
 N   0.1115000      0.3235000      6.9399998E-02
 N    2.468600      0.4736000     -0.1737000    
 C   -1.181600      0.9176000      0.2440000    
 C   -3.347400      0.9744000     -0.7017000    
 C   -1.896000       1.172400      -1.073200    
 C   -3.285400     -0.1115000      0.3635000    
 C   -3.354400      -1.517300     -0.2184000    
 C    1.237100       1.157800      4.0000002E-03
 C   0.2056000      -1.045300     -2.8200001E-02
 C    1.358500      -1.699800     -0.1923000    
 C    2.620800     -0.9170000     -0.2762000    
 C    3.665600       1.305000     -0.2485000    
 C    1.447300      -3.189800     -0.2965000    
 C    4.243200       1.514800       1.138100    
 H   -1.097400       1.851600      0.8124000    
 H   -3.972900      0.7143000      -1.560700    
 H   -1.604000      0.4349000      -1.830600    
 H   -1.670300       2.168600      -1.466700    
 H   -4.052900      1.3300000E-02   1.135300    
 H   -2.561100      -1.732300     -0.9378000    
 H   -4.311400      -1.668700     -0.7279000    
 H  -0.7022000      -1.621700      3.4100000E-02
 H   -4.784300       1.997900      0.1315000    
 H    4.412000      0.8169000     -0.8850000    
 H    3.429000       2.272200     -0.7046000    
 H   -2.458400      -2.284100       1.333400    
 H    1.885400      -3.480500      -1.256900    
 H   0.4637000      -3.665800     -0.2229000    
 H    2.071600      -3.592800      0.5076000    
 H    3.526100       2.016500       1.796300    
 H    4.512000      0.5612000       1.604700    
 H    5.144800       2.132700       1.084500    


%chk=000159912-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159912

0 1
O -1.933617 0.169900 0.947986
O -3.810766 2.247286 -0.589135
O -3.292245 -2.189863 1.568799
O 1.184698 2.387404 0.212565
O 3.912827 -1.380709 -0.432533
N 0.169760 0.306056 -0.207447
N 2.545712 0.502852 -0.125365
C -1.166358 0.912752 -0.090529
C -3.469226 0.836263 -0.819132
C -2.033236 0.840409 -1.368349
C -3.351753 0.033224 0.501125
C -3.644664 -1.469350 0.348794
C 1.299715 1.149975 -0.016634
C 0.301996 -1.064024 -0.439262
C 1.516265 -1.694669 -0.531388
C 2.742146 -0.898535 -0.370122
C 3.759963 1.346545 0.071272
C 1.667012 -3.176605 -0.770938
C 4.164987 1.431182 1.555411
H -1.010135 1.951099 0.241087
H -4.193750 0.369014 -1.517480
H -1.825984 -0.080588 -1.941223
H -1.869905 1.711765 -2.020220
H -3.980595 0.458115 1.306517
H -3.093823 -1.876889 -0.529105
H -4.724093 -1.644546 0.196881
H -0.637938 -1.616477 -0.514770
H -4.674104 2.312463 -0.107842
H 4.562641 0.880109 -0.522044
H 3.529154 2.348065 -0.325523
H -2.403639 -1.853389 1.861620
H 2.253381 -3.366771 -1.687976
H 0.685487 -3.672256 -0.865916
H 2.225101 -3.650707 0.056448
H 3.361606 1.890578 2.156330
H 4.392414 0.428863 1.956766
H 5.070663 2.055761 1.657930


