%chk=000090968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090968

0 1
 O   6.0600001E-02  -1.925300     -0.7764000    
 O   -1.849300      0.4078000       1.108500    
 O    1.333600       2.142200      -1.114300    
 O    2.469200     -0.3689000       1.764000    
 N    1.066500      5.3100001E-02 -4.8500001E-02
 N  -0.7598000       1.134000     -0.8081000    
 C  -3.4299999E-02 -0.8696000      0.1689000    
 C   -1.272700     -2.2000000E-02 -0.1142000    
 C   0.6400000       1.220500     -0.7055000    
 C    2.431900     -0.1982000      0.3603000    
 C   -1.077200      -2.775900     -0.7260000    
 C   -3.008500       1.202400      0.8912000    
 H   3.5999999E-03  -1.260800       1.192000    
 H   -2.034700     -0.4819000     -0.7458000    
 H   -1.333600       1.843500      -1.252700    
 H    3.074100      0.6411000      7.9200000E-02
 H    2.778900      -1.112500     -0.1296000    
 H   -1.854300      -2.429500      -1.412300    
 H   -1.471000      -2.886600      0.2898000    
 H  -0.7648000      -3.765000      -1.075000    
 H   -3.728000      0.6855000      0.2483000    
 H   -2.749700       2.178000      0.4698000    
 H   -3.482900       1.375400       1.861600    
 H    3.393000     -0.5518000       2.005500    


%chk=000090968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090968

0 1
O -0.034151 -1.892519 -0.927048
O -2.031692 0.339804 0.988325
O 1.560492 2.273189 -0.897830
O 2.406707 -0.368183 1.735716
N 1.053545 0.066429 -0.145612
N -0.650120 1.390095 -0.766944
C -0.113604 -0.772871 0.021784
C -1.308513 0.190202 -0.279332
C 0.746176 1.357255 -0.626546
C 2.372534 -0.327000 0.254754
C -0.900213 -3.013307 -0.539249
C -3.181621 1.244347 0.896568
H -0.205140 -1.159781 1.056217
H -1.996621 -0.228258 -1.044372
H -1.106905 2.165689 -1.239506
H 3.072414 0.430805 -0.146910
H 2.597499 -1.330894 -0.156517
H -1.972474 -2.728961 -0.540353
H -0.634119 -3.397832 0.466721
H -0.729774 -3.796556 -1.293702
H -3.880613 0.930872 0.091205
H -2.861463 2.290688 0.720865
H -3.692660 1.182455 1.869207
H 3.320915 -0.610170 2.033260


