%chk=000126828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126828

0 1
 O   -2.331200       1.569300      -1.041100    
 O   -3.130800       3.659200     -0.5394000    
 O   -2.666400      -3.829600      0.8995000    
 O    5.271700      -1.959000      -1.161300    
 N   0.4140000       1.803400      0.2702000    
 C  -0.8538000       1.291900      0.7558000    
 C   -1.575000      0.5519000     -0.3597000    
 C   -1.784100       2.446500       1.068500    
 C   -2.485700       2.666700     -0.2396000    
 C   -2.517600     -0.4999000      0.1310000    
 C    1.572800       1.051800      0.2268000    
 C   -2.482800      -1.779500     -0.2693000    
 C    1.586300     -0.2875000      0.6654000    
 C    2.776800       1.601300     -0.2577000    
 C   -3.430000      -2.832200      0.2261000    
 C    3.935900     -0.4812000      0.1381000    
 C    2.755900      -1.046200      0.6217000    
 C    3.946500      0.8426000     -0.3015000    
 C   -4.189400      -3.477400     -0.9257000    
 C    5.186800      -1.292100      9.2100002E-02
 H  -0.7066000      0.7022000       1.667500    
 H  -0.8767000      0.1269000      -1.090300    
 H   -1.256600       3.351600       1.381800    
 H   -2.534600       2.167800       1.815000    
 H   0.4419000       2.733200     -0.1342000    
 H   -3.279100     -0.1933000      0.8445000    
 H   -1.723700      -2.093000     -0.9824000    
 H   0.6952000     -0.7810000       1.041700    
 H    2.803100       2.632000     -0.6049000    
 H   -4.149200      -2.422700      0.9443000    
 H    2.734800      -2.077700      0.9634000    
 H    4.859200       1.293500     -0.6819000    
 H   -4.792700      -2.743800      -1.469900    
 H   -4.853100      -4.263100     -0.5483000    
 H   -3.504600      -3.961500      -1.631700    
 H    6.071700     -0.6581000      0.2164000    
 H    5.200700      -2.040000      0.8926000    
 H   -2.228600      -3.405600       1.657600    
 H    6.095800      -2.475000      -1.154100    


%chk=000126828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126828

0 1
O -2.383151 1.670033 -1.148875
O -3.142695 3.829015 -0.734532
O -2.691780 -3.829689 1.159407
O 6.148965 -0.853732 -0.822752
N 0.445759 1.849834 0.343684
C -0.877669 1.395662 0.749821
C -1.634922 0.601431 -0.392778
C -1.816945 2.592135 0.994543
C -2.524881 2.826152 -0.347368
C -2.603369 -0.435933 0.106151
C 1.556728 0.996323 0.222639
C -2.488889 -1.763926 -0.157162
C 1.489405 -0.387917 0.555069
C 2.799639 1.520615 -0.234221
C -3.439040 -2.819620 0.364779
C 3.874696 -0.675284 0.002603
C 2.638430 -1.199835 0.446075
C 3.935520 0.697506 -0.340502
C -4.115173 -3.614075 -0.759678
C 5.101788 -1.567110 -0.079269
H -0.784472 0.750954 1.642440
H -0.915973 0.171806 -1.108156
H -1.296600 3.504287 1.327271
H -2.582602 2.357494 1.755458
H 0.527451 2.786107 -0.054480
H -3.440630 -0.073031 0.722851
H -1.665425 -2.138480 -0.784594
H 0.549681 -0.839547 0.889787
H 2.870863 2.582224 -0.503927
H -4.212312 -2.338729 1.002940
H 2.558219 -2.263974 0.704867
H 4.884584 1.103952 -0.700233
H -4.729169 -2.948851 -1.390953
H -4.761469 -4.396906 -0.326784
H -3.354928 -4.104659 -1.392337
H 5.457767 -1.813703 0.946685
H 4.837810 -2.521950 -0.584500
H -2.195886 -3.362654 1.880181
H 6.977473 -1.393526 -0.827150


