%chk=000129870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129870

0 1
 O    2.470300       1.522100     -0.7206000    
 O    3.509000     -0.1389000      0.6829000    
 N   -4.188400     -0.6185000     -0.4092000    
 C   -2.840200     -0.3243000      8.9400001E-02
 C   -1.805900     -0.9411000     -0.8761000    
 C   -2.660500       1.198200      0.2420000    
 C  -0.3797000     -0.7576000     -0.4382000    
 C   0.3211000      0.3717000     -0.8505000    
 C   0.2161000      -1.728000      0.3774000    
 C    1.627200      0.4961000     -0.4232000    
 C    2.220300     -0.4524000      0.3782000    
 C   -3.690000       1.836900       1.167500    
 C    1.540200      -1.577600      0.7963000    
 C    3.660500       1.113400     -1.6000001E-02
 H   -2.730000     -0.7932000       1.075500    
 H   -1.930400     -0.5166000      -1.882400    
 H   -2.002700      -2.016000     -0.9934000    
 H   -1.676100       1.415200      0.6699000    
 H   -2.705300       1.691000     -0.7371000    
 H  -0.1293000       1.125900      -1.486300    
 H  -0.3438000      -2.604100      0.6942000    
 H   -3.432500       2.886800       1.342400    
 H   -4.694500       1.816900      0.7343000    
 H   -3.716300       1.330400       2.137500    
 H   -4.881600     -0.3587000      0.2909000    
 H   -4.291300      -1.624000     -0.5425000    
 H    2.011000      -2.322300       1.427900    
 H    3.922800       1.891200      0.7104000    
 H    4.479400       1.015600     -0.7379000    


%chk=000129870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129870

0 1
O 2.730312 1.408829 -0.880187
O 3.600591 -0.114981 0.765192
N -4.219420 -0.709333 -0.459143
C -2.886153 -0.338719 0.059537
C -1.821148 -0.839328 -0.964492
C -2.811561 1.191834 0.266483
C -0.384593 -0.688461 -0.487672
C 0.438049 0.359444 -1.000167
C 0.143320 -1.579391 0.483873
C 1.742484 0.458343 -0.511748
C 2.252439 -0.433276 0.453080
C -3.785910 1.726247 1.340171
C 1.473707 -1.469096 0.973714
C 3.934032 1.065492 -0.076309
H -2.654054 -0.820907 1.044207
H -1.987151 -0.293533 -1.911515
H -2.029872 -1.909293 -1.172052
H -1.776308 1.452915 0.556282
H -3.017950 1.680496 -0.706381
H 0.060639 1.057849 -1.752449
H -0.491714 -2.387859 0.864186
H -3.622938 2.805172 1.516269
H -4.844323 1.605959 1.040259
H -3.640327 1.202792 2.304566
H -5.005124 -0.337265 0.081749
H -4.330870 -1.707801 -0.662244
H 1.873048 -2.163272 1.717532
H 4.181925 1.917302 0.580873
H 4.758270 0.797942 -0.760315


