%chk=000020070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020070

0 1
 O    1.882400      -1.798200      -1.958500    
 O    1.558800       1.703800      0.5125000    
 O   -1.886200       1.499900      -1.647900    
 O   -1.122700      -2.372100       1.963900    
 O    2.227600       3.905600      0.4438000    
 N    1.046200      -1.461900      0.2538000    
 N    4.047300      -1.689900      2.0800000E-02
 N   -4.025300      0.8470000     -0.1158000    
 N    2.158600       2.746300       2.428400    
 C    3.149300     -0.5862000     -0.3213000    
 C    1.788100     -0.8638000     -0.8837000    
 C    3.209000      -1.134300       1.068200    
 C    1.888700      -1.760700       1.407500    
 C   0.8693000      0.3296000      -1.315900    
 C  -0.2460000     -0.9906000      0.2749000    
 C  -0.4280000     -1.3000000E-02 -0.6102000    
 C    1.357700       1.711900     -0.8884000    
 C   -1.728900      0.6307000     -0.7962000    
 C   -1.311800      -1.467900       1.157800    
 C   -2.849600      0.1809000      9.8600000E-02
 C   -2.646200     -0.7958000       1.010000    
 C    2.435600      -1.196100      -3.118300    
 C   -5.183100      5.4900002E-02 -0.5140000    
 C   -4.492200      0.9589000      -1.492900    
 C   -3.699700      -1.315000       1.952300    
 C    2.001300       2.876000       1.070700    
 H    3.636400      0.3340000     -0.5942000    
 H    3.685800     -0.5761000       1.858200    
 H    5.001500      -1.343900      0.1161000    
 H    1.980500      -2.842200       1.549000    
 H    1.486400      -1.311600       2.322000    
 H   0.6620000      0.3526000      -2.388600    
 H   0.6156000       2.477300      -1.146200    
 H    2.292200       1.959700      -1.404900    
 H    3.139300     -0.3849000      -2.908200    
 H    1.640100     -0.8477000      -3.783100    
 H    2.979400      -1.973900      -3.663700    
 H   -5.041400      -1.010900     -0.6235000    
 H   -6.104300      0.3930000     -6.3600004E-02
 H   -4.942500       1.914900      -1.714700    
 H   -3.958200      0.4568000      -2.287400    
 H   -4.014800      -2.319600       1.652300    
 H   -4.586000     -0.6764000       1.997700    
 H   -3.309100      -1.365300       2.974800    
 H    1.959200       1.871200       2.901300    
 H    2.480300       3.520200       2.999800    


%chk=000020070-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020070

0 1
O 1.879041 -1.700405 -1.954989
O 1.184748 2.135773 0.453290
O -2.061289 1.548320 -1.720942
O -0.969215 -2.277013 2.130884
O 3.439698 2.854336 0.431769
N 1.057769 -1.356044 0.224779
N 4.079683 -1.525846 -0.066558
N -4.148792 0.556502 -0.172903
N 2.122109 2.885151 2.373448
C 3.146869 -0.326932 -0.245118
C 1.794771 -0.684957 -0.887762
C 3.227813 -1.041453 1.094859
C 1.943910 -1.863150 1.299593
C 0.818232 0.465146 -1.356690
C -0.247566 -0.941968 0.251784
C -0.492904 0.042074 -0.702058
C 1.190306 1.921933 -1.018687
C -1.792898 0.605042 -0.885557
C -1.289551 -1.442333 1.206751
C -2.894244 0.016270 0.007334
C -2.641006 -0.922468 1.016752
C 2.854777 -1.387084 -3.003159
C -5.484106 -0.035419 -0.419247
C -4.863762 1.000491 -1.376154
C -3.721347 -1.386390 1.971112
C 2.352819 2.651663 1.036472
H 3.571669 0.670897 -0.380024
H 3.708510 -0.569055 1.957086
H 5.059204 -1.191537 0.035612
H 2.140245 -2.941417 1.169812
H 1.469548 -1.704208 2.280341
H 0.745669 0.417095 -2.460202
H 0.407665 2.585462 -1.422715
H 2.179923 2.210674 -1.416094
H 3.884972 -1.407022 -2.603209
H 2.654232 -0.405156 -3.483236
H 2.736780 -2.183600 -3.754196
H -5.518446 -1.079210 -0.754784
H -6.283992 0.266047 0.264925
H -5.225716 2.033197 -1.360067
H -4.485232 0.661172 -2.345633
H -4.490952 -2.006230 1.472272
H -4.241849 -0.524869 2.430263
H -3.264550 -1.996745 2.766575
H 1.198967 2.722916 2.769621
H 2.870091 3.277545 2.937855


