%chk=000168989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168989

0 1
 O   -1.282100      -1.079600      0.6365000    
 O   -3.695100      0.5206000      -1.616700    
 O   -5.442400      -1.173600     -0.2711000    
 O   -5.402600      4.7200002E-02   2.245000    
 O    4.853300     -0.3193000       1.095300    
 O    2.144800      -3.701200     -0.4395000    
 N   0.4897000      0.6654000     -0.7082000    
 N    2.928100       1.458500      0.4531000    
 N    1.323200      -1.583100     -0.5785000    
 N    3.496600      -2.045500      0.3221000    
 C   -1.807400     -4.8799999E-02 -0.2008000    
 C   -3.172500     -0.4951000     -0.7614000    
 C  -0.7859000      0.2517000      -1.304100    
 C   -4.207800     -0.7931000      0.3396000    
 C   0.7640000       2.018300     -0.4335000    
 C    1.443300     -0.3032000     -0.3910000    
 C   -4.464200      0.4154000       1.238800    
 C    1.948100       2.368700      0.1255000    
 C    2.721900      0.2005000      0.2238000    
 C  -0.3022000       3.035900     -0.7673000    
 C    2.325400       3.792800      0.4362000    
 C    3.820900     -0.7388000      0.6011000    
 C    2.302800      -2.493700     -0.2448000    
 H   -1.921500      0.8441000      0.4172000    
 H   -3.044500      -1.397800      -1.372300    
 H  -0.6282000     -0.6479000      -1.913300    
 H   -1.167600       1.000600      -2.005200    
 H   -3.883800      -1.646800      0.9448000    
 H   -3.565200      0.7649000       1.750900    
 H   -4.902100       1.249000      0.6813000    
 H   -1.176700      -1.879400      9.3300000E-02
 H   -4.455000      0.1435000      -2.091100    
 H  -5.2400000E-02   4.046700     -0.4332000    
 H   -1.254600       2.795100     -0.2889000    
 H  -0.4496000       3.093700      -1.850800    
 H   -5.830200     -0.3860000     -0.6885000    
 H    3.378700       3.869100      0.7296000    
 H    1.724900       4.177500       1.266800    
 H    2.195400       4.438100     -0.4386000    
 H    4.189800      -2.752700      0.5499000    
 H   -5.006900     -0.6728000       2.765300    


%chk=000168989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168989

0 1
O -1.645802 -1.784689 -0.136470
O -3.285854 1.415496 -0.900922
O -5.504424 0.029663 -0.481132
O -5.437558 -0.752976 2.134428
O 4.842549 -0.337997 1.285468
O 1.664008 -3.672987 0.560076
N 0.539189 0.714922 -0.717876
N 2.947670 1.650458 0.366081
N 1.044498 -1.500068 -0.064667
N 3.220743 -1.966431 0.870649
C -1.745648 -0.354855 -0.344313
C -3.152142 -0.049613 -0.880255
C -0.683362 0.159197 -1.365979
C -4.280026 -0.662963 -0.024175
C 0.783392 2.083807 -0.670754
C 1.426648 -0.213217 -0.131063
C -4.134099 -0.448917 1.493553
C 2.006830 2.534191 -0.106782
C 2.676572 0.333136 0.350576
C -0.250153 3.030469 -1.223202
C 2.359716 4.002637 -0.007094
C 3.691316 -0.634825 0.875512
C 1.942601 -2.450428 0.453856
H -1.610379 0.214961 0.604013
H -3.257219 -0.450774 -1.910753
H -0.371255 -0.693560 -1.994511
H -1.122624 0.943032 -1.995338
H -4.347362 -1.746306 -0.240802
H -3.322329 -1.077138 1.902264
H -3.953131 0.613091 1.727241
H -0.642522 -1.975385 -0.074269
H -4.271490 1.576451 -0.935231
H -0.030760 4.056168 -0.895595
H -1.274966 2.765530 -0.903214
H -0.245783 3.030259 -2.331062
H -6.166618 -0.069980 0.257456
H 3.375109 4.080991 0.409237
H 1.669151 4.552771 0.659482
H 2.345196 4.505231 -0.991492
H 3.867379 -2.679409 1.226052
H -5.516660 -1.731040 2.268304


