%chk=000051227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051227

0 1
 O   -1.726200       2.386200     -0.2808000    
 O   -1.439700      -2.735900      0.6987000    
 N  -0.7531000     -0.8327000      9.1100000E-02
 N  -0.8931000      -2.107600     -0.2158000    
 C    1.677500     -0.5632000      0.2564000    
 C    2.961200      2.7799999E-02 -0.3569000    
 C   0.4167000     -0.2362000     -0.5457000    
 C   -1.944600     -1.8800000E-02 -0.1989000    
 C    2.820000       1.546100     -0.4929000    
 C    4.207700     -0.3023000      0.4655000    
 C   -2.176400      5.5100001E-02  -1.702900    
 C   -1.698700       1.359000      0.3975000    
 C   -1.451500       1.422500       1.884500    
 H    1.805600      -1.651100      0.3287000    
 H    1.565700     -0.1948000       1.284900    
 H    3.100000     -0.3959000      -1.359700    
 H   0.3505000      0.8517000     -0.6012000    
 H   0.5441000     -0.5810000      -1.582700    
 H   -2.838600     -0.4254000      0.2921000    
 H    2.111800       1.820400      -1.280300    
 H    2.496700       2.006900      0.4468000    
 H    3.778500       1.998400     -0.7722000    
 H    5.109100      9.6400000E-02 -1.1700000E-02
 H    4.140500      0.1203000       1.473700    
 H    4.330500      -1.386200      0.5604000    
 H   -3.101200      0.6114000      -1.901200    
 H   -2.305700     -0.9334000      -2.156800    
 H   -1.386900      0.5849000      -2.246900    
 H  -0.4457000       1.069500       2.119600    
 H   -1.548900       2.457900       2.224000    
 H   -2.196800      0.8200000       2.410200    


%chk=000051227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051227

0 1
O -1.511606 2.296005 0.973400
O -2.445661 -2.334073 0.398710
N -0.824035 -0.933877 -0.321577
N -1.225697 -2.225035 -0.006572
C 1.493321 -0.053258 0.201697
C 2.963757 0.046669 -0.290980
C 0.575810 -0.814613 -0.782744
C -1.774913 0.214218 -0.287361
C 3.101800 0.938179 -1.549985
C 3.863327 0.582103 0.848674
C -1.708911 1.081798 -1.552873
C -1.622038 1.043537 1.018885
C -1.657758 0.266469 2.323736
H 1.474194 -0.577772 1.177851
H 1.107433 0.972189 0.371583
H 3.309434 -0.977430 -0.549533
H 0.583292 -0.323610 -1.772083
H 0.935225 -1.850703 -0.913912
H -2.768332 -0.286918 -0.207622
H 2.540383 0.539929 -2.414892
H 2.731592 1.961112 -1.343148
H 4.161093 1.019688 -1.855223
H 4.918697 0.644143 0.525424
H 3.544305 1.596961 1.154839
H 3.818019 -0.070910 1.739979
H -2.513850 1.834245 -1.514335
H -1.846321 0.462554 -2.456267
H -0.758125 1.636417 -1.627601
H -0.690025 -0.246532 2.482808
H -1.835061 0.951227 3.167247
H -2.430348 -0.522713 2.289374


