%chk=000091446.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091446

0 1
 O    1.169700      0.8653000     -0.4623000    
 O  -0.4284000     -0.6979000      -1.130600    
 O    4.065500      -2.031400     -0.1607000    
 O    4.458800      0.5330000       1.114100    
 O    1.214200      -2.772900     -0.1285000    
 O    1.480300       3.454400      0.4071000    
 O   -1.843800      -2.465800      0.3302000    
 N   -3.364200       1.162900     -0.1431000    
 N   -3.559600      -1.004500      0.7625000    
 N   -1.529700       1.920300      -1.466800    
 N   -5.219000      0.6256000       1.104600    
 C    2.998100      -1.209300      0.3138000    
 C    3.427200      0.2512000      0.1720000    
 C    1.734900      -1.496300     -0.4978000    
 C    2.245000       1.191100      0.4201000    
 C   0.6557000     -0.4454000     -0.2373000    
 C    2.619900       2.648400      0.1696000    
 C   -1.611100     -0.3079000     -0.6008000    
 C   -2.145800      0.9269000     -0.7502000    
 C   -2.344000      -1.350800      0.2010000    
 C   -4.024000      0.2029000      0.5830000    
 H    2.848000      -1.474600       1.367600    
 H    3.844600      0.4127000     -0.8295000    
 H    1.974000      -1.548500      -1.566700    
 H    1.884700       1.107500       1.454500    
 H   0.3160000     -0.5273000      0.8067000    
 H    2.932400       2.809200     -0.8675000    
 H    3.421800       2.980600      0.8351000    
 H    4.854900      -1.815800      0.3649000    
 H    4.095600      0.3991000       2.006100    
 H   0.9917000      -2.746000      0.8178000    
 H   0.7732000       3.146500     -0.1854000    
 H   -3.754900       2.091200     -0.2617000    
 H  -0.6357000       1.748000      -1.909200    
 H   -1.976000       2.825400      -1.540900    
 H   -5.559800       1.568200      0.9510000    
 H   -5.798200      5.1000002E-03   1.659600    


%chk=000091446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091446

0 1
O 1.368966 1.079566 -0.322154
O -0.371486 -0.322020 -0.921680
O 3.915416 -2.236325 -0.132284
O 4.905042 0.361708 0.805270
O 1.033253 -2.540821 0.609833
O 2.080317 3.712256 0.482981
O -1.707091 -2.389907 0.534394
N -3.699489 1.100134 -0.295593
N -3.704782 -1.151770 0.574516
N -1.743774 2.089589 -1.274408
N -5.655932 0.138235 0.634443
C 3.037659 -1.213079 0.432966
C 3.609302 0.186309 0.110914
C 1.623969 -1.443718 -0.129080
C 2.613973 1.306318 0.460961
C 0.721486 -0.197031 0.035162
C 3.073283 2.713625 0.075013
C -1.683206 -0.184115 -0.412253
C -2.352753 1.005352 -0.675971
C -2.331264 -1.309181 0.257954
C -4.321953 -0.012220 0.306578
H 2.972908 -1.316771 1.543209
H 3.875781 0.239714 -0.958711
H 1.705202 -1.654047 -1.216954
H 2.364270 1.284516 1.547948
H 0.329509 -0.140181 1.074564
H 3.254384 2.748816 -1.019954
H 4.004933 2.970839 0.601782
H 4.840438 -2.027953 0.164055
H 4.749897 0.309748 1.785453
H 0.033020 -2.591029 0.440611
H 1.200938 3.395594 0.147853
H -4.177702 2.001727 -0.349062
H -0.756394 1.969694 -1.512617
H -2.270346 2.841384 -1.712594
H -6.230253 0.916245 0.321600
H -6.095523 -0.660101 1.087553


