%chk=000031071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031071

0 1
 O    4.176800     -0.8346000     -0.7290000    
 O    2.702700       2.036000      0.7275000    
 N    3.097800     -8.3200000E-02 -0.1870000    
 C   -2.235500      -1.932300      0.2266000    
 C  -0.7583000      -1.611600      0.1354000    
 C  -0.5637000     -0.2236000     -4.5499999E-02
 C   -2.859100     -0.5605000      7.5900003E-02
 C   -1.857400      0.4235000     -8.2300000E-02
 C   0.7140000      0.2992000     -0.1546000    
 C   0.3102000      -2.488000      0.2091000    
 C    1.798000     -0.5810000     -8.0899999E-02
 C   -4.202800     -0.2300000      8.1200004E-02
 C   -2.199100       1.756800     -0.2372000    
 C    1.598100      -1.960500      9.9100001E-02
 C   -4.546900       1.113900     -7.5099997E-02
 C   -3.555200       2.097400     -0.2327000    
 C    3.462700       1.204500      0.2308000    
 C    4.917800       1.574000      3.8699999E-02
 H   -2.478900      -2.363500       1.201900    
 H   -2.540800      -2.588900     -0.5933000    
 H   0.8235000       1.358500     -0.3531000    
 H   0.1573000      -3.552300      0.3492000    
 H   -4.969100     -0.9875000      0.2028000    
 H   -1.445300       2.527400     -0.3594000    
 H    2.445600      -2.639400      0.1606000    
 H   -5.594000       1.405300     -7.5099997E-02
 H   -3.848200       3.137300     -0.3526000    
 H    5.557500      0.8890000      0.6021000    
 H    5.176300       1.542400      -1.023300    
 H    5.090300       2.589700      0.4071000    
 H    4.023500     -0.6882000      -1.678400    


%chk=000031071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031071

0 1
O 4.188967 -0.953506 -0.301532
O 2.775426 2.304632 0.262583
N 3.136877 0.043754 -0.168810
C -2.269182 -1.965298 0.119507
C -0.785401 -1.622276 0.066318
C -0.610523 -0.209433 -0.034980
C -2.935586 -0.594793 0.040107
C -1.941818 0.427831 -0.048300
C 0.669137 0.375759 -0.105959
C 0.341249 -2.458633 0.109580
C 1.801602 -0.484032 -0.066818
C -4.301519 -0.261758 0.048485
C -2.313787 1.788047 -0.126393
C 1.636206 -1.893572 0.046857
C -4.675284 1.103747 -0.031046
C -3.688697 2.118381 -0.116896
C 3.590296 1.361563 0.040606
C 5.095922 1.565163 -0.032841
H -2.537865 -2.500282 1.051951
H -2.573778 -2.622362 -0.719179
H 0.808893 1.455289 -0.166880
H 0.234269 -3.545455 0.201268
H -5.070311 -1.040341 0.116637
H -1.554858 2.575865 -0.189517
H 2.519004 -2.532926 0.117760
H -5.735981 1.379257 -0.024806
H -3.996358 3.168459 -0.175311
H 5.622927 0.932079 0.700446
H 5.493105 1.305654 -1.030657
H 5.296926 2.627093 0.171923
H 4.177942 -1.218105 -1.265603


