%chk=000136945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136945

0 1
 O    4.281300      -1.156700      0.2331000    
 O    4.303200       1.023300      0.4901000    
 N   -3.973700      1.9300001E-02  0.3309000    
 N   -1.821000      0.1250000     -0.7487000    
 N    3.694200     -4.7899999E-02  0.2533000    
 C  -0.4391000      8.1600003E-02 -0.4977000    
 C    2.297800     -4.0000002E-03 -1.9999999E-04
 C   0.2282000      -1.139100     -0.5158000    
 C   0.2520000       1.260000     -0.2328000    
 C    1.599900      -1.182200     -0.2663000    
 C    1.623800       1.217100      1.6600000E-02
 C   -2.591000      1.0400000E-02  0.2878000    
 C   -4.762100      0.1683000     -0.8840000    
 C   -4.693500     -0.3751000       1.533600    
 H  -0.3079000      -2.061400     -0.7230000    
 H  -0.2656000       2.215500     -0.2185000    
 H    2.091800      -2.151300     -0.2877000    
 H    2.134500       2.154800      0.2200000    
 H   -2.158000     -0.1315000       1.296000    
 H   -4.810900     -0.7851000      -1.419500    
 H   -4.320800      0.9198000      -1.547200    
 H   -5.784300      0.4922000     -0.6621000    
 H   -5.680300      9.7099997E-02   1.579600    
 H   -4.148800     -7.6300003E-02   2.435600    
 H   -4.826000      -1.461400       1.551900    


%chk=000136945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000136945

0 1
O 4.557372 -0.699966 -0.573650
O 4.300351 1.225114 0.629448
N -4.042872 -0.049669 0.364992
N -1.833471 -0.393400 -0.396061
N 3.819071 0.204711 -0.010481
C -0.451347 -0.210125 -0.259340
C 2.359806 0.065063 -0.099419
C 0.414440 -1.166029 -0.876386
C 0.139269 0.909203 0.414529
C 1.807300 -1.039308 -0.795201
C 1.532919 1.044770 0.499385
C -2.681232 -0.027827 0.544230
C -4.632462 -0.427792 -0.928763
C -4.964540 0.254479 1.466616
H -0.043985 -2.004241 -1.409262
H -0.505726 1.687067 0.839003
H 2.478866 -1.769320 -1.254598
H 1.999026 1.893004 1.008186
H -2.370721 0.284551 1.559384
H -5.300005 -1.302094 -0.807720
H -3.813384 -0.683394 -1.617591
H -5.220627 0.410742 -1.348122
H -5.635846 1.091483 1.195021
H -4.397945 0.540832 2.368319
H -5.590555 -0.625453 1.712480


