%chk=000159859.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159859

0 1
 O  -0.8139000       1.828800      0.1568000    
 O   0.3131000      -2.139600      0.3081000    
 O   -2.073600      -1.389200      -1.119500    
 O    1.017200       1.804100      -1.343300    
 O   -3.386900       1.189500      0.9733000    
 O    2.887400      0.7197000       2.422800    
 O  -3.7700001E-02  -3.175000      -1.727100    
 O   -3.244300      -2.283300      0.6600000    
 O   0.9818000       4.090800      -1.016800    
 O   -5.540900       1.940700      0.6082000    
 O    6.187200     -0.9155000     -0.3359000    
 N    2.353800     -7.7900000E-02  0.3336000    
 N    4.597100     -8.7800004E-02   1.082800    
 N    4.976400     -0.6945000     -0.2256000    
 C   0.1124000     -0.8619000     -0.2996000    
 C   0.9376000      0.1786000      0.4620000    
 C   -1.378300     -0.5148000     -0.2341000    
 C   -1.627400      0.9468000     -0.6244000    
 C   0.5882000       1.597100      1.1000000E-03
 C   -3.079000       1.360600     -0.3978000    
 C    3.254800      0.2202000       1.354400    
 C   0.2078000      -3.212100     -0.5289000    
 C   -2.982200      -2.223800     -0.5336000    
 C    1.173800       3.107600      -1.719200    
 C   0.4413000      -4.476400      0.2412000    
 C   -3.631900      -3.078500      -1.579300    
 C   -4.662800       1.518700       1.348600    
 C    1.625300       3.171200      -3.146800    
 C    5.647300      0.1683000       2.060300    
 C   -4.843600       1.287600       2.818300    
 H   0.4488000     -0.8868000      -1.345700    
 H   0.6765000      8.8600002E-02   1.525600    
 H   -1.683700     -0.6593000      0.8106000    
 H   -1.407800       1.096700      -1.689300    
 H    1.108200       2.303800      0.6605000    
 H   -3.754800      0.7572000      -1.014300    
 H   -3.202200       2.418900     -0.6575000    
 H    2.687600     -0.4023000     -0.5669000    
 H   0.3597000      -5.332700     -0.4344000    
 H  -0.3146000      -4.577300       1.024100    
 H    1.445200      -4.467400      0.6729000    
 H   -4.128100      -2.445500      -2.319300    
 H   -4.385100      -3.716700      -1.108500    
 H   -2.883800      -3.715500      -2.056900    
 H   0.8733000       2.712100      -3.793500    
 H    1.747800       4.217100      -3.442400    
 H    2.587300       2.663800      -3.253800    
 H    6.376900      0.8602000       1.629100    
 H    5.240100      0.6127000       2.972300    
 H    6.134200     -0.7770000       2.318500    
 H   -4.151200       1.919500       3.380100    
 H   -5.866200       1.549900       3.104200    
 H   -4.676600      0.2327000       3.049700    


%chk=000159859-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159859

0 1
O -0.805441 2.163746 0.152435
O 0.083427 -1.962843 0.374275
O -2.386727 -1.076741 -0.870778
O 0.973180 1.873251 -1.440004
O -3.655360 1.494539 0.978328
O 2.916129 0.288917 2.509511
O 1.567717 -2.596890 -1.318344
O -3.330131 -2.010237 1.060157
O 1.974548 3.967371 -1.113629
O -5.479308 0.352185 0.060065
O 5.988996 -0.763828 -0.743071
N 2.286148 0.026770 0.264062
N 4.545112 -0.291377 0.910030
N 4.774121 -0.495345 -0.454144
C -0.061148 -0.623870 -0.241531
C 0.883548 0.372544 0.473806
C -1.522210 -0.197497 -0.048868
C -1.728923 1.243632 -0.566246
C 0.581457 1.817493 -0.000225
C -3.143728 1.784807 -0.383889
C 3.184435 0.032896 1.304310
C 0.932396 -2.878713 -0.279065
C -3.282128 -1.933536 -0.184660
C 1.658597 3.040334 -1.881100
C 0.946068 -4.190311 0.467642
C -4.165749 -2.654187 -1.169702
C -4.843033 0.740854 1.066464
C 1.934903 2.941990 -3.361862
C 5.627099 -0.364434 1.905614
C -5.179092 0.453039 2.506966
H 0.188814 -0.691214 -1.317128
H 0.687451 0.342371 1.561218
H -1.812886 -0.282375 1.013543
H -1.484798 1.282700 -1.647821
H 1.148917 2.576348 0.560967
H -3.827268 1.335333 -1.124575
H -3.126099 2.882099 -0.486840
H 2.622350 -0.220427 -0.672984
H 1.495204 -4.944353 -0.113833
H -0.083874 -4.531842 0.663997
H 1.435431 -4.054727 1.448681
H -5.054981 -2.021252 -1.349624
H -4.502912 -3.610430 -0.742083
H -3.651837 -2.814837 -2.129446
H 0.992068 2.802958 -3.918187
H 2.441077 3.854980 -3.705854
H 2.571261 2.064262 -3.571027
H 6.419067 0.361318 1.653074
H 5.188655 -0.133394 2.886327
H 6.072854 -1.373931 1.904731
H -4.776246 1.229397 3.174279
H -6.269266 0.360661 2.627227
H -4.716387 -0.515505 2.773510


