%chk=000048559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048559

0 1
 O  -3.8199998E-02  0.6681000       2.248700    
 O  -0.1778000     -0.4690000      -2.417900    
 O    3.410500      -1.560200      0.2145000    
 N    1.663100     -0.4467000       1.202200    
 N    1.596300     -0.9991000      -1.074800    
 C  -0.3379000      0.1675000     -9.3999997E-02
 C  -0.7170000       1.614000     -0.4393000    
 C   -1.565600     -0.6643000      0.1507000    
 C   0.4230000      0.1670000       1.221000    
 C   0.3481000     -0.4471000      -1.303200    
 C   -1.278200      -2.082500      0.5554000    
 C   -2.791100     -0.1266000      2.7000001E-03
 C   0.5032000       2.450700     -0.6487000    
 C    2.297900      -1.038600      0.1207000    
 C   -4.120400     -0.7807000      0.1982000    
 C   0.7839000       3.547400      6.3800000E-02
 H   -1.317100       2.077800      0.3563000    
 H   -1.288500       1.678300      -1.375600    
 H   -2.181900      -2.693300      0.6187000    
 H  -0.6308000      -2.588600     -0.1669000    
 H  -0.8042000      -2.129100       1.540800    
 H    2.170200     -0.4609000       2.082800    
 H    2.053800      -1.422100      -1.877600    
 H   -2.941600      0.9015000     -0.3052000    
 H    1.186000       2.174000      -1.447800    
 H   -4.059900      -1.799900      0.5830000    
 H   -4.714200     -0.1975000      0.9096000    
 H   -4.662200     -0.8088000     -0.7525000    
 H    1.678100       4.124000     -0.1464000    
 H   0.1365000       3.888200      0.8642000    


%chk=000048559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048559

0 1
O -0.096185 0.863933 2.257839
O 0.017201 -0.394823 -2.452533
O 3.431540 -1.563837 0.467005
N 1.603179 -0.395029 1.335837
N 1.670347 -0.979327 -0.953268
C -0.386109 0.215719 -0.101319
C -0.724662 1.698663 -0.495879
C -1.641848 -0.687471 0.109843
C 0.365191 0.270692 1.252084
C 0.428694 -0.395555 -1.264818
C -1.327014 -2.156012 0.341861
C -2.895880 -0.159805 0.100154
C 0.508214 2.524259 -0.810756
C 2.312547 -1.019943 0.297256
C -4.205766 -0.886561 0.299920
C 0.986660 3.521532 -0.025506
H -1.276349 2.150166 0.345614
H -1.381392 1.655079 -1.383790
H -2.232389 -2.738760 0.569036
H -0.856880 -2.615398 -0.549404
H -0.628526 -2.294830 1.190169
H 2.077363 -0.374756 2.245062
H 2.189276 -1.404942 -1.729021
H -3.010270 0.917739 -0.069755
H 1.020323 2.290021 -1.756744
H -4.090925 -1.971209 0.455739
H -4.745618 -0.472387 1.173721
H -4.863839 -0.739078 -0.578425
H 1.876695 4.095523 -0.307134
H 0.500425 3.789898 0.920613


