%chk=000093718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093718

0 1
 O    3.819600      -2.375100     -0.5139000    
 O    1.737700       3.575800      4.4999998E-03
 N    1.030400     -4.1900001E-02  9.6799999E-02
 N   -3.302400      6.5300003E-02 -0.1892000    
 C   0.2179000     -0.8640000      0.9853000    
 C   -1.232600     -0.3804000       1.045900    
 C   -1.933000     -0.4221000     -0.3134000    
 C    2.410300     -0.5299000      6.0899999E-02
 C   0.9988000       1.359800      0.5186000    
 C    2.463700      -1.949500     -0.4807000    
 C    1.810400       2.224900     -0.4323000    
 C   -4.071800     -0.7869000      0.7186000    
 C   -3.948900      0.1240000      -1.501100    
 H   0.1660000      -1.901100      0.6411000    
 H   0.6318000     -0.8786000       2.002300    
 H   -1.725700      -1.073800       1.738700    
 H   -1.325600      0.6037000       1.518200    
 H   -1.905400      -1.441500     -0.7205000    
 H   -1.391700      0.2208000      -1.017400    
 H    2.889100     -0.4833000       1.048200    
 H    3.044300      4.8300002E-02 -0.6167000    
 H    1.366400       1.483500       1.546200    
 H  -1.3300000E-02   1.776100      0.5001000    
 H    1.944600      -2.671900      0.1522000    
 H    2.057300      -2.003600      -1.496400    
 H    1.417400       2.175900      -1.453000    
 H    2.875700       1.989900     -0.4555000    
 H   -4.001500      -1.849300      0.4579000    
 H   -5.132900     -0.5095000      0.6931000    
 H   -3.772100     -0.6497000       1.762000    
 H   -4.020700     -0.8637000      -1.971000    
 H   -3.395100      0.7875000      -2.174600    
 H   -4.958900      0.5403000      -1.415300    
 H    3.828200      -3.276100     -0.8798000    
 H    2.116300       3.617400      0.8993000    


%chk=000093718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093718

0 1
O 3.290999 -2.420191 -1.162378
O 1.821909 3.746074 -0.034764
N 1.120650 0.064220 0.599688
N -3.152924 -0.202077 -0.374919
C 0.200688 -0.625098 1.540102
C -1.285079 -0.253895 1.326445
C -1.797463 -0.706429 -0.054550
C 2.326643 -0.720951 0.246127
C 1.383466 1.481864 0.923637
C 2.053229 -1.651265 -0.944756
C 1.529697 2.338341 -0.351886
C -4.207593 -0.773171 0.486008
C -3.474793 -0.358046 -1.807681
H 0.317705 -1.715744 1.386324
H 0.482484 -0.425160 2.603155
H -1.872574 -0.720555 2.141877
H -1.429861 0.840249 1.410370
H -1.751280 -1.829729 -0.113248
H -1.095043 -0.312994 -0.812796
H 2.699693 -1.333048 1.099023
H 3.146579 -0.035422 -0.034945
H 2.299260 1.604525 1.558398
H 0.538469 1.885470 1.508928
H 1.200363 -2.325582 -0.715739
H 1.789130 -1.041379 -1.833611
H 0.574436 2.362041 -0.898894
H 2.307990 1.912639 -1.021275
H -4.288913 -1.888650 0.400391
H -5.184767 -0.337471 0.210528
H -4.016681 -0.524956 1.543814
H -3.521074 -1.427163 -2.142138
H -2.711712 0.157305 -2.417910
H -4.454393 0.106161 -2.022753
H 3.175253 -3.020109 -1.940643
H 2.679807 3.791498 0.459172


