%chk=000115691.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115691

0 1
 O  -0.6294000      8.8299997E-02 -0.8403000    
 O  -0.1658000      0.5299000       1.408300    
 O    3.435900      0.6489000       1.008000    
 O    1.594300      -4.242400     -0.7609000    
 N   -4.129800     -0.6076000      0.1214000    
 C   -1.856100      0.2334000     -0.1176000    
 C   -2.913400     -0.6967000     -0.6727000    
 C   0.4232000      0.4566000      8.7700002E-02
 C   -5.194500      -1.470700     -0.3893000    
 C   -4.699900      0.7394000      0.1206000    
 C   -1.455400     -6.9899999E-02   1.300100    
 C   -6.432200     -0.9392000      0.3183000    
 C   -6.108500      0.5143000      0.6502000    
 C   0.9402000       1.848000     -0.2845000    
 C    1.494700     -0.6462000      0.1061000    
 C    1.962600       2.446300      0.4755000    
 C    2.827500     -0.4865000      0.5408000    
 C    2.624000       1.668300       1.572300    
 C   0.4035000       2.580500      -1.360000    
 C    1.114800      -1.945900     -0.3117000    
 C    2.416100       3.738400      0.1646000    
 C    3.727800      -1.568700      0.4865000    
 C    2.011700      -3.016200     -0.3434000    
 C   0.8586000       3.866000      -1.661900    
 C    1.862100       4.446800     -0.8973000    
 C    3.325100      -2.825100      4.9300000E-02
 C    2.563000      -5.289900     -0.7700000    
 H   -2.144500       1.286000     -0.2204000    
 H   -2.534700      -1.727000     -0.6644000    
 H   -3.092700     -0.4550000      -1.729000    
 H   -5.018600      -2.525600     -0.1562000    
 H   -5.316400      -1.367800      -1.475300    
 H   -4.748500       1.162600     -0.8911000    
 H   -4.161900       1.437100      0.7696000    
 H   -2.129800      0.3553000       2.048000    
 H   -1.346200      -1.143700       1.488600    
 H   -6.621600      -1.497100       1.242900    
 H   -7.322700      -1.022700     -0.3127000    
 H   -6.824500       1.203600      0.1913000    
 H   -6.146200      0.6634000       1.735800    
 H    3.293800       2.323200       2.142500    
 H    1.923300       1.268600       2.312500    
 H  -0.3847000       2.169100      -1.985000    
 H   9.2399999E-02  -2.148700     -0.6244000    
 H    3.214300       4.196000      0.7439000    
 H    4.760600      -1.430800      0.8023000    
 H   0.4257000       4.411700      -2.495300    
 H    2.218900       5.445000      -1.132000    
 H    4.081200      -3.602000      4.7499999E-02
 H    3.377400      -5.078500      -1.471100    
 H    2.058900      -6.193500      -1.128100    
 H    2.930300      -5.506900      0.2388000    


%chk=000115691-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115691

0 1
O -0.657292 0.489015 -0.812750
O -0.158087 1.003503 1.438574
O 3.296791 0.573615 1.524531
O 1.222263 -3.923241 -1.185199
N -4.114340 -0.638135 0.179820
C -1.926525 0.504784 -0.029303
C -2.854178 -0.580681 -0.587517
C 0.472293 0.762220 0.093919
C -4.931630 -1.853568 -0.080842
C -5.042253 0.508242 -0.036597
C -1.444227 0.273129 1.410991
C -6.260857 -1.540198 0.640826
C -6.410582 0.013515 0.516923
C 1.191074 2.044091 -0.323802
C 1.402252 -0.465431 0.152304
C 2.219432 2.570897 0.505720
C 2.664744 -0.478398 0.832112
C 2.590237 1.856052 1.784569
C 0.863865 2.690105 -1.535034
C 0.992898 -1.650119 -0.502803
C 2.891451 3.749336 0.110340
C 3.440532 -1.662016 0.835280
C 1.770768 -2.825826 -0.489073
C 1.539526 3.870992 -1.919476
C 2.553587 4.406425 -1.094738
C 3.013044 -2.836422 0.188913
C 2.019375 -5.148527 -1.225072
H -2.376141 1.512234 -0.129745
H -2.342123 -1.557011 -0.501014
H -3.028833 -0.388925 -1.676730
H -4.423615 -2.753044 0.309400
H -5.109326 -2.005150 -1.176785
H -5.128338 0.752275 -1.126579
H -4.679070 1.414184 0.480095
H -2.085662 0.722142 2.181762
H -1.293033 -0.804739 1.614624
H -6.187426 -1.832193 1.702354
H -7.110277 -2.085759 0.194748
H -7.230537 0.294137 -0.166797
H -6.630494 0.463143 1.499888
H 3.329211 2.432076 2.363390
H 1.701438 1.649739 2.405391
H 0.080270 2.258045 -2.163051
H 0.058496 -1.642974 -1.067330
H 3.686119 4.151827 0.749876
H 4.397346 -1.633244 1.365700
H 1.276177 4.367877 -2.859900
H 3.079827 5.321350 -1.388737
H 3.646593 -3.727560 0.219585
H 2.998368 -4.979451 -1.716061
H 1.426627 -5.860300 -1.818839
H 2.184140 -5.559639 -0.209065


