%chk=000168386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168386

0 1
 O    1.917200      6.0300000E-02   1.878000    
 O   -1.282600      2.2100000E-02  0.2529000    
 O  -0.6551000      0.4829000       2.422100    
 N   -4.928800      0.1214000     -0.2896000    
 C    1.419000       1.119100     -0.1900000    
 C    2.878700      0.9916000     -0.6463000    
 C    1.175300       2.473500      0.4895000    
 C    1.043900     -2.8899999E-02  0.7453000    
 C    3.293900       2.157700      -1.540400    
 C    1.593100       3.637000     -0.4067000    
 C    3.041900       3.502300     -0.8652000    
 C    1.198200      -1.440400      0.1864000    
 C  -0.3789000      0.1961000       1.263500    
 C   0.9302000      -1.658700      -1.147600    
 C    1.600000      -2.448900       1.035200    
 C    1.071600      -2.949100      -1.658300    
 C    1.741200      -3.739400      0.5245000    
 C   -2.655700      0.1976000      0.6152000    
 C    1.477300      -3.989600     -0.8222000    
 C   -3.518600     -3.0099999E-02 -0.6156000    
 C   -5.198500       1.462500      0.2345000    
 C   -5.763400     -0.1390000      -1.465300    
 H   0.7815000       1.108400      -1.083900    
 H    3.051500      6.3100003E-02  -1.199200    
 H    3.559000      0.9783000      0.2136000    
 H    1.733600       2.541800       1.431600    
 H   0.1165000       2.611900      0.7345000    
 H    4.356000       2.067700      -1.795100    
 H    2.734700       2.111500      -2.483000    
 H   0.9350000       3.677500      -1.283500    
 H    1.464300       4.582600      0.1323000    
 H    3.709200       3.607300     -8.9999998E-04
 H    3.286700       4.314800      -1.558400    
 H    2.780600     -0.3304000       1.662400    
 H   0.5951000     -0.8786000      -1.821200    
 H    1.787200      -2.297400       2.093300    
 H   -2.914700     -0.5189000       1.404300    
 H   -2.753600       1.217100       1.000700    
 H   0.8614000      -3.145200      -2.705600    
 H    2.050200      -4.551100       1.176700    
 H    1.584900      -4.994700      -1.219200    
 H   -3.321700      -1.042500     -0.9917000    
 H   -3.206200      0.6541000      -1.416300    
 H   -4.802800       1.592700       1.246400    
 H   -4.804600       2.253200     -0.4146000    
 H   -6.279400       1.622400      0.3334000    
 H   -6.826100     -8.4100001E-02  -1.203800    
 H   -5.568700      0.5728000      -2.275700    
 H   -5.587100      -1.151600      -1.845100    


%chk=000168386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168386

0 1
O 1.970749 0.037059 2.064624
O -1.206617 0.115641 0.323114
O -0.684976 -0.124912 2.579894
N -4.871695 0.380355 -0.412800
C 1.435423 1.055681 -0.144303
C 2.902281 1.018247 -0.649605
C 1.121777 2.440428 0.478982
C 1.135070 -0.108744 0.860424
C 3.172661 2.155185 -1.664846
C 1.398488 3.585827 -0.523430
C 2.849789 3.539962 -1.056503
C 1.307346 -1.527411 0.260317
C -0.318775 -0.030382 1.394648
C 1.014447 -1.820865 -1.095773
C 1.723469 -2.581282 1.113748
C 1.162783 -3.133733 -1.593771
C 1.869454 -3.895057 0.615796
C -2.656022 0.100166 0.674233
C 1.595280 -4.176584 -0.741748
C -3.406986 0.406683 -0.627135
C -5.381185 1.569139 0.303030
C -5.622889 0.126997 -1.659134
H 0.763041 0.922770 -1.014238
H 3.132820 0.037157 -1.106122
H 3.594893 1.154682 0.209678
H 1.738477 2.573869 1.389322
H 0.063397 2.479176 0.801622
H 4.227692 2.117601 -1.998832
H 2.545368 1.995479 -2.566471
H 0.695440 3.501216 -1.378483
H 1.198779 4.562403 -0.041295
H 3.552069 3.743150 -0.221650
H 3.007715 4.335776 -1.810150
H 2.911801 -0.096795 1.781054
H 0.657467 -1.031016 -1.764300
H 1.913320 -2.361222 2.169331
H -2.923911 -0.896697 1.064502
H -2.832806 0.847711 1.467546
H 0.937058 -3.343314 -2.645583
H 2.189888 -4.698023 1.289259
H 1.708447 -5.195246 -1.129401
H -3.147671 -0.373764 -1.365306
H -3.048773 1.383673 -1.039793
H -4.886165 1.675008 1.283127
H -5.229441 2.521220 -0.267361
H -6.463215 1.449570 0.488403
H -6.697464 0.020116 -1.426036
H -5.516940 0.942649 -2.419243
H -5.278758 -0.816852 -2.117443


