%chk=000173322.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173322

0 1
 O  -0.1614000      -2.904300      0.1296000    
 O    2.480800       2.628200       1.865200    
 O    1.785100      -3.080600       1.370200    
 O   0.5125000       3.331900      0.9374000    
 O   -4.650300      0.6472000      -1.372100    
 O   -2.799800      0.6115000      -2.552600    
 N    2.397000      0.1453000      -1.671300    
 N   -3.400900      0.5617000      -1.452200    
 C   0.9747000      4.2700000E-02  0.7769000    
 C    1.372700      -1.205300     -1.9400001E-02
 C    1.565200       1.332700      0.1990000    
 C  -0.5218000      0.1503000      0.8455000    
 C    2.040100      -1.105100      -1.191600    
 C    2.212900       1.336400     -0.9880000    
 C   -1.254200      0.3055000     -0.3253000    
 C   -1.158500      9.2200004E-02   2.079500    
 C    2.443400      -2.260300      -2.067700    
 C    1.049200      -2.505900      0.5894000    
 C    2.783100       2.552400      -1.666800    
 C    1.432700       2.545200       1.023100    
 C   -2.644200      0.4040000     -0.2612000    
 C   -2.548300      0.1907000       2.143500    
 C   -3.291200      0.3464000      0.9733000    
 C  -0.6186000      -4.162600      0.6355000    
 H    1.395400     -7.8000002E-02   1.785800    
 H    2.888700      0.1844000      -2.557200    
 H  -0.7406000      0.3483000      -1.282100    
 H  -0.5928000     -2.9400000E-02   2.998800    
 H    2.135100      -3.229300      -1.665300    
 H    3.532100      -2.283000      -2.185100    
 H    1.991100      -2.157600      -3.059900    
 H    3.866100       2.443800      -1.789200    
 H    2.604700       3.475800      -1.108700    
 H    2.334300       2.676600      -2.658300    
 H   -3.051800      0.1457000       3.104900    
 H   -4.372200      0.4195000       1.061700    
 H    2.433700       3.424500       2.436000    
 H   7.3200002E-02  -4.960300      0.3489000    
 H   -1.596900      -4.370700      0.1941000    
 H  -0.7270000      -4.116300       1.723400    


%chk=000173322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173322

0 1
O 1.179584 -3.674864 0.115288
O 1.386706 2.175690 2.389976
O 0.614743 -2.481903 2.033775
O 2.423155 3.509993 0.809740
O -4.640612 1.838699 -1.416522
O -2.633016 1.935828 -2.490561
N 1.887452 0.044990 -1.842896
N -3.363431 1.649937 -1.461866
C 0.869090 0.051076 0.800608
C 1.170852 -1.249539 0.033261
C 1.644865 1.238603 0.218358
C -0.651859 0.313552 0.817743
C 1.575850 -1.206523 -1.289004
C 2.056963 1.225217 -1.103648
C -1.302223 0.873365 -0.304439
C -1.428099 -0.032104 1.954564
C 1.771841 -2.369549 -2.237766
C 0.957799 -2.473859 0.817402
C 2.707268 2.345926 -1.881563
C 1.875557 2.405248 1.084834
C -2.698288 1.069804 -0.269999
C -2.826302 0.178408 1.972302
C -3.482291 0.733918 0.855387
C 0.967988 -4.907150 0.910606
H 1.175459 -0.100524 1.848128
H 2.154912 0.070290 -2.828192
H -0.749860 1.166295 -1.200940
H -0.924989 -0.478770 2.817673
H 0.888823 -3.026146 -2.247877
H 2.620220 -2.999261 -1.919931
H 1.964238 -2.011664 -3.266115
H 3.707886 2.040761 -2.243565
H 2.817345 3.239457 -1.253787
H 2.091988 2.604259 -2.765745
H -3.405847 -0.091919 2.861022
H -4.560803 0.909891 0.837533
H 1.566756 2.991350 2.929879
H 1.661103 -4.934696 1.768122
H 1.170801 -5.730088 0.210164
H -0.068320 -4.949797 1.285751


