%chk=000037087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037087

0 1
 O  -0.6203000     -0.5670000      0.3101000    
 N   -3.802500       1.031000     -0.6460000    
 C   -2.879200     -7.1300000E-02 -0.3815000    
 C   -1.540600      0.4955000      9.2600003E-02
 C   -3.485800      -1.029500      0.6441000    
 C   0.7091000     -0.2735000      0.1551000    
 C    1.166000       1.012100      0.4224000    
 C    1.587200      -1.264200     -0.2694000    
 C    2.519200       1.310600      0.2631000    
 C    2.940400     -0.9656000     -0.4284000    
 C    3.406500      0.3218000     -0.1622000    
 H   -2.719200     -0.6295000      -1.311500    
 H   -1.175900       1.183300     -0.6832000    
 H   -1.670900       1.050300       1.030600    
 H   -4.450900      -1.414900      0.2967000    
 H   -3.647100     -0.5351000       1.608600    
 H   -2.831700      -1.891400      0.8124000    
 H   -3.977700       1.549300      0.2143000    
 H   -4.705500      0.6592000     -0.9386000    
 H   0.5149000       1.802900      0.7815000    
 H    1.228100      -2.268000     -0.4781000    
 H    2.883900       2.311300      0.4763000    
 H    3.631200      -1.735600     -0.7594000    
 H    4.460400      0.5540000     -0.2845000    


%chk=000037087-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037087

0 1
O -0.653285 -0.505540 -0.300893
N -4.001383 1.106590 -0.289380
C -3.038872 -0.018805 -0.349457
C -1.635296 0.582497 -0.150944
C -3.324147 -1.162947 0.653262
C 0.705614 -0.188768 -0.150524
C 1.198226 1.111983 0.125107
C 1.603699 -1.276862 -0.293470
C 2.593254 1.309671 0.256489
C 2.989297 -1.062825 -0.159733
C 3.494866 0.232240 0.116696
H -3.075834 -0.427442 -1.377177
H -1.463831 1.367779 -0.911568
H -1.544755 1.032134 0.861864
H -4.317407 -1.609062 0.462129
H -3.313925 -0.777576 1.692108
H -2.558066 -1.954090 0.576340
H -4.184905 1.438164 0.664367
H -4.870617 0.942425 -0.804764
H 0.519322 1.962702 0.234602
H 1.195674 -2.269887 -0.506873
H 2.971564 2.316302 0.468528
H 3.677594 -1.908218 -0.271336
H 4.572814 0.395234 0.219627


