%chk=000083228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083228

0 1
 O   -2.442100      -1.799000     -3.0200001E-02
 O    2.364700       1.577000     -0.9767000    
 O    2.280100       1.059900       1.231100    
 N    2.751700      -1.594100      7.4199997E-02
 N   -3.069100       1.860200      0.1521000    
 C  -0.7451000     -0.1106000     -0.3253000    
 C   0.3618000      -1.070800      0.1255000    
 C   -2.119300     -0.4409000      0.2747000    
 C    1.740400     -0.6584000     -0.4117000    
 C   -3.281400      0.4534000     -0.1743000    
 C    2.158300      0.7232000      6.0600001E-02
 H  -0.8109000     -0.1518000      -1.420000    
 H  -0.4765000      0.9161000     -5.5700000E-02
 H   0.3811000      -1.094000       1.223200    
 H   0.1283000      -2.088100     -0.2127000    
 H   -2.041000     -0.3834000       1.367500    
 H    1.729600     -0.6820000      -1.507600    
 H   -4.207100      0.1082000      0.3011000    
 H   -3.437900      0.3476000      -1.254400    
 H    3.649900      -1.384000     -0.3601000    
 H    2.511700      -2.540900     -0.2177000    
 H   -2.509500      -1.876600     -0.9973000    
 H   -3.875900       2.401500     -0.1562000    
 H   -2.273500       2.220000     -0.3730000    
 H    2.622500       2.471500     -0.6675000    


%chk=000083228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083228

0 1
O -2.517245 -1.837988 -0.386224
O 2.166377 1.520860 -1.191664
O 2.627274 0.990683 1.022916
N 2.696724 -1.817021 -0.041392
N -3.027430 1.841927 0.354724
C -0.748930 -0.075933 -0.343110
C 0.349746 -1.050748 0.130829
C -2.151650 -0.499889 0.134528
C 1.746301 -0.784149 -0.486605
C -3.255732 0.518386 -0.244301
C 2.218029 0.631089 -0.104347
H -0.745847 -0.011375 -1.453689
H -0.549265 0.942878 0.042640
H 0.433883 -1.004876 1.235722
H 0.072456 -2.086207 -0.135583
H -2.151778 -0.633130 1.230042
H 1.666408 -0.825491 -1.586728
H -4.213588 0.116167 0.131360
H -3.336309 0.546872 -1.360402
H 3.593743 -1.806790 -0.538457
H 2.826793 -1.826116 0.977018
H -2.547848 -1.786074 -1.377097
H -3.856673 2.323720 0.702431
H -2.384483 2.456831 -0.146356
H 2.479845 2.420372 -0.896655


