%chk=000160607.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160607

0 1
 O  -0.5648000       1.575000      0.9315000    
 O   -2.634800     -4.4700000E-02  -1.506100    
 O   -4.567500     -2.4100000E-02 -0.3179000    
 N   -1.108700     -0.6428000      0.5282000    
 N    3.825500     -0.3582000     -0.4685000    
 C    1.169500      0.1603000      0.2320000    
 C   -2.516200     -0.5288000      0.8359000    
 C  -0.2118000      0.4300000      0.5967000    
 C    1.972000       1.180800     -0.2660000    
 C    1.693400      -1.119200      0.3802000    
 C    3.281300      0.8725000     -0.5984000    
 C    3.015200      -1.324600      1.8800000E-02
 C   -3.353100     -0.1760000     -0.3667000    
 H   -2.656600      0.2441000       1.597200    
 H   -2.844100      -1.499800       1.217400    
 H  -0.7980000      -1.542200      0.1765000    
 H    1.602000       2.191500     -0.4012000    
 H    1.129800      -1.950100      0.7889000    
 H    3.948000       1.632600     -0.9921000    
 H    3.474000      -2.302500      0.1217000    
 H   -3.201500      0.1843000      -2.273200    


%chk=000160607-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160607

0 1
O -0.351487 1.683966 1.332816
O -2.965995 -1.690797 -0.944186
O -4.807658 -0.617524 -0.008619
N -1.176980 -0.087424 0.097005
N 3.978629 -0.415345 -0.394660
C 1.265195 0.241867 0.223758
C -2.556355 0.264736 0.429342
C -0.135296 0.669170 0.595715
C 2.327877 1.108218 0.579665
C 1.591610 -0.966972 -0.442557
C 3.651615 0.745069 0.252610
C 2.947552 -1.247685 -0.726236
C -3.574854 -0.689311 -0.166099
H -2.800566 1.288745 0.082868
H -2.702240 0.289785 1.526635
H -1.033999 -0.881660 -0.528022
H 2.099272 2.040298 1.104756
H 0.834417 -1.704195 -0.732439
H 4.492498 1.396943 0.512900
H 3.229676 -2.175132 -1.237127
H -3.659309 -2.294652 -1.323225


