%chk=000100755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100755

0 1
 O    3.396900       1.968900     -0.3278000    
 O    3.806900      -2.067800       1.353300    
 N    2.670000     -0.2202000     -0.4596000    
 N    1.661700      -1.130300     -0.4182000    
 N   0.6775000       4.167600      8.6199999E-02
 C   6.5300003E-02  0.7338000     -7.9000004E-02
 C   0.4602000     -0.6944000     -0.2341000    
 C    1.076200       1.618000     -0.1216000    
 C   -1.341700       1.152400      6.9700003E-02
 C    3.991700     -0.7913000     -0.6610000    
 C  -0.6163000      -1.702300     -0.1780000    
 C    2.481100       1.144000     -0.3089000    
 C    4.636500      -1.135800      0.6720000    
 C   -2.110400       1.414200      -1.061900    
 C   -1.895500       1.283900       1.341000    
 C   -1.264500      -2.083000      -1.347800    
 C  -0.9721000      -2.262500       1.043900    
 C   -3.440600       1.810100     -0.9215000    
 C   -3.225700       1.679800       1.481300    
 C   -2.281800      -3.035800      -1.295000    
 C   -1.989400      -3.215400       1.096600    
 C   -3.998200       1.942900      0.3500000    
 C   -2.644200      -3.602000     -7.2899997E-02
 C   0.8563000       3.025200     -6.8999999E-03
 H    4.619800     -7.3899999E-02  -1.199900    
 H    3.887300      -1.688100      -1.283100    
 H    4.758000     -0.2519000       1.306200    
 H    5.618000      -1.593300      0.5195000    
 H   -1.689700       1.315000      -2.059500    
 H   -1.306000       1.081700       2.231800    
 H  -0.9886000      -1.648600      -2.304900    
 H  -0.4673000      -1.968100       1.960200    
 H   -4.042100       2.014600      -1.802300    
 H   -3.660100       1.782900       2.471300    
 H   -2.791700      -3.336800      -2.205500    
 H   -2.271700      -3.656300       2.048100    
 H   -5.033900       2.250800      0.4593000    
 H   -3.436400      -4.343800     -3.1800002E-02
 H    2.940900      -1.645500       1.485800    


%chk=000100755-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100755

0 1
O 3.485756 2.184275 0.077556
O 3.638161 -2.917231 -0.157362
N 2.649966 0.030175 -0.356324
N 1.645984 -0.897470 -0.388438
N 0.717829 4.368595 0.605265
C 0.025710 0.865091 0.139781
C 0.373962 -0.524616 -0.132192
C 1.080082 1.792824 0.208807
C -1.395030 1.305286 0.260982
C 4.007028 -0.497287 -0.662726
C -0.598859 -1.657732 -0.134035
C 2.490159 1.410249 -0.001198
C 4.367677 -1.710263 0.220015
C -2.332484 0.971679 -0.754564
C -1.822371 2.092004 1.363433
C -0.475250 -2.679070 -1.113955
C -1.600777 -1.780976 0.865628
C -3.664785 1.424555 -0.670734
C -3.161013 2.528679 1.453235
C -1.342317 -3.791608 -1.104558
C -2.463272 -2.897369 0.875859
C -4.085383 2.200348 0.435279
C -2.341637 -3.904172 -0.110073
C 0.863139 3.195132 0.427101
H 4.702446 0.342682 -0.503483
H 4.031680 -0.799764 -1.725498
H 4.209453 -1.452445 1.289452
H 5.435252 -1.945815 0.072178
H -2.014350 0.369571 -1.611948
H -1.113534 2.352071 2.156828
H 0.300753 -2.592112 -1.881940
H -1.698977 -1.015484 1.641540
H -4.373766 1.171851 -1.466214
H -3.477393 3.129880 2.311986
H -1.238488 -4.567961 -1.870152
H -3.226447 -2.983157 1.656798
H -5.122397 2.547003 0.501341
H -3.015399 -4.767884 -0.101006
H 2.675295 -2.660834 -0.221665


