%chk=000052557.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052557

0 1
 O   -2.935800      -2.038900      0.3899000    
 O   -2.368000      -1.081600      -1.622300    
 O   -2.510500       3.009400      0.9110000    
 N    1.948200      -1.912600      2.2700001E-02
 N   -1.684300       1.297800     -0.4340000    
 C   0.3497000     -0.6027000      0.8329000    
 C  -0.9260000     -0.1467000       1.421300    
 C    1.445900      0.2191000      0.4483000    
 C   -2.049400      0.1873000      0.4096000    
 C    2.435300     -0.6274000     -5.6600001E-02
 C   0.6884000      -1.907800      0.5589000    
 C    1.692200       1.606000      0.4815000    
 C    3.663500     -0.1542000     -0.5319000    
 C    2.651700      -3.105700     -0.3968000    
 C   -2.457100      -1.037000     -0.3996000    
 C    2.916300       2.093600      9.4999997E-03
 C    3.885400       1.225200     -0.4890000    
 C   -1.947800       2.619400     -0.1087000    
 C   -1.438600       3.578500      -1.151000    
 C   -3.359000      -3.221800     -0.2956000    
 H  -0.7396000      0.7374000       2.045600    
 H   -1.289400     -0.9173000       2.114700    
 H   -2.941000      0.4908000      0.9737000    
 H   0.1369000      -2.827800      0.7021000    
 H   0.9531000       2.298000      0.8739000    
 H    4.422100     -0.8249000     -0.9212000    
 H   -1.188500       1.093700      -1.297200    
 H    3.573100      -3.185400      0.1856000    
 H    2.024800      -3.983300     -0.2196000    
 H    2.872700      -3.018400      -1.463600    
 H    3.112200       3.162300      3.4299999E-02
 H    4.829300       1.625500     -0.8501000    
 H   -1.958100       4.535600      -1.051800    
 H  -0.3659000       3.733000      -1.009400    
 H   -1.619700       3.189000      -2.157000    
 H   -3.719100      -3.936000      0.4498000    
 H   -2.517100      -3.669300     -0.8324000    
 H   -4.177500      -2.989100     -0.9834000    


%chk=000052557-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052557

0 1
O -3.059006 -2.054261 0.496706
O -2.468832 -1.222800 -1.595368
O -1.859507 2.927138 0.982010
N 1.954662 -1.862330 -0.090285
N -1.783145 1.195537 -0.557316
C 0.296534 -0.573467 0.848594
C -1.010217 -0.145433 1.463468
C 1.420399 0.285495 0.513573
C -2.150194 0.171692 0.423672
C 2.440049 -0.548048 -0.071175
C 0.666304 -1.866519 0.469781
C 1.674013 1.674753 0.671701
C 3.682916 -0.033069 -0.505195
C 2.687230 -3.025521 -0.589590
C -2.564972 -1.074187 -0.353706
C 2.912089 2.192440 0.243976
C 3.904356 1.349439 -0.341417
C -1.655797 2.524549 -0.208898
C -1.223091 3.460069 -1.331980
C -3.500740 -3.312182 -0.156793
H -0.876623 0.780422 2.049817
H -1.405951 -0.918786 2.145965
H -3.016889 0.529505 1.014008
H 0.111296 -2.799066 0.568558
H 0.922730 2.330153 1.127528
H 4.451715 -0.675706 -0.948305
H -1.619412 0.873741 -1.515619
H 3.612278 -3.195219 -0.007106
H 2.053134 -3.922353 -0.504141
H 2.960700 -2.893914 -1.652987
H 3.124634 3.260453 0.366515
H 4.857013 1.784661 -0.663984
H -1.737573 4.426827 -1.213070
H -0.135590 3.642454 -1.250664
H -1.431601 3.054862 -2.337357
H -3.787844 -3.971960 0.673323
H -2.677909 -3.744366 -0.750469
H -4.358760 -3.111302 -0.819667


