%chk=000052437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052437

0 1
 O    3.808100      0.1597000       1.088300    
 O   -1.696100      0.4477000      0.9010000    
 O   -1.558900      0.7574000      -1.405400    
 O   -4.587300      -2.732300     -0.8376000    
 O   -2.597900      -1.810400     -0.7304000    
 N    6.595100      0.9175000      -1.201900    
 N   -3.848300      -1.729100     -0.7024000    
 C    2.344600      -2.265800      0.7191000    
 C    1.686500     -0.9334000      0.8646000    
 C    2.439800      0.2221000       1.043900    
 C   0.2948000     -0.8515000      0.8179000    
 C    2.061500      -2.914100     -0.6486000    
 C    1.959100      -3.237700       1.849400    
 C   0.4252000       1.540500       1.130900    
 C  -0.3359000      0.3853000      0.9512000    
 C    1.816800       1.458800       1.177400    
 C    4.515700      0.8977000      0.1005000    
 C    5.838300      0.2008000     -0.1759000    
 C  -0.2335000       2.872800       1.275400    
 C    7.873600      0.2529000      -1.451700    
 C    5.818200       1.012000      -2.437300    
 C   -2.214600      0.6373000     -0.3815000    
 C   -3.698100      0.6945000     -0.3548000    
 C   -4.449600     -0.4537000     -0.5109000    
 C   -4.284900       1.932300     -0.1690000    
 C   -5.841200     -0.3619000     -0.4801000    
 C   -5.676500       2.023900     -0.1382000    
 C   -6.454600      0.8769000     -0.2939000    
 H    3.434100      -2.153800      0.7787000    
 H  -0.3085000      -1.745100      0.6873000    
 H    2.354000      -2.243300      -1.464100    
 H    2.630800      -3.843600     -0.7579000    
 H    1.001200      -3.156700     -0.7772000    
 H    2.174700      -2.798900       2.830000    
 H    2.529600      -4.169200       1.765600    
 H   0.8953000      -3.496900       1.824000    
 H    2.410900       2.357100       1.324500    
 H    4.688800       1.914500      0.4728000    
 H    3.893200      0.9521000     -0.7988000    
 H    5.651600     -0.8430000     -0.4633000    
 H    6.412000      0.1597000      0.7590000    
 H   -1.050600       2.825400       2.003100    
 H  -0.6304000       3.206000      0.3112000    
 H   0.4676000       3.634900       1.632400    
 H    8.467600      0.2025000     -0.5323000    
 H    7.742900     -0.7660000      -1.834300    
 H    8.468600      0.8202000      -2.176200    
 H    6.446800       1.386400      -3.254800    
 H    5.409200      4.5299999E-02  -2.753300    
 H    5.007500       1.742600      -2.355600    
 H   -3.685300       2.829700     -4.6599999E-02
 H   -6.482900      -1.231500     -0.5973000    
 H   -6.154100       2.988400      7.0000002E-03
 H   -7.538100      0.9488000     -0.2698000    


%chk=000052437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052437

0 1
O 3.688387 -0.414927 -0.065374
O -1.837177 0.462436 0.548920
O -2.309808 1.085356 -1.666671
O -4.216657 -1.999916 2.287695
O -3.168713 -1.975894 0.260708
N 7.040996 1.142984 -0.580432
N -3.968640 -1.472284 1.137569
C 2.056145 -2.670256 0.243190
C 1.465416 -1.259069 0.238355
C 2.316813 -0.124907 0.060713
C 0.084229 -1.008584 0.369508
C 2.368724 -3.122594 -1.212956
C 1.165258 -3.711694 0.956442
C 0.406990 1.436261 0.149364
C -0.416458 0.305369 0.316645
C 1.797213 1.190306 0.024080
C 4.623663 0.708958 -0.235136
C 6.028190 0.094274 -0.316965
C -0.154975 2.842713 0.104262
C 8.368107 0.823150 -0.016488
C 7.126456 1.521012 -2.006696
C -2.683101 0.756847 -0.522179
C -4.118183 0.747914 -0.070384
C -4.699196 -0.229306 0.777395
C -4.932143 1.828514 -0.486476
C -6.024537 -0.117964 1.245077
C -6.268153 1.943965 -0.044839
C -6.810998 0.977887 0.833512
H 3.024479 -2.614237 0.778260
H -0.623913 -1.828777 0.515769
H 3.049974 -2.409460 -1.708144
H 2.849553 -4.118908 -1.211939
H 1.438398 -3.188934 -1.807155
H 0.911508 -3.397127 1.985208
H 1.693549 -4.681021 1.013780
H 0.219922 -3.885808 0.409165
H 2.464522 2.048249 -0.101145
H 4.562918 1.400630 0.627549
H 4.370402 1.267503 -1.158930
H 6.030539 -0.712497 -1.089849
H 6.252847 -0.386053 0.652091
H -0.878025 3.013464 0.922647
H -0.686770 3.018916 -0.849506
H 0.648625 3.592970 0.192414
H 8.280144 0.640528 1.068887
H 8.848250 -0.074290 -0.482760
H 9.046960 1.682860 -0.162203
H 7.804474 2.385525 -2.120718
H 7.507216 0.691955 -2.655967
H 6.134953 1.821180 -2.387362
H -4.496294 2.577915 -1.154476
H -6.422122 -0.893981 1.904858
H -6.879670 2.787943 -0.379423
H -7.843889 1.066704 1.184213


