%chk=000128564.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128564

0 1
 O   -1.260300      0.7605000       1.924000    
 O   -4.625200      -2.006200      -1.500800    
 O   -1.265600       3.450500     -0.9801000    
 O   -6.659600      -1.332800      0.1527000    
 O    5.514500      -1.894600      0.3352000    
 N  -0.5175000      0.9136000     -0.2670000    
 N   9.8999999E-02   4.251300      0.7201000    
 N   -5.460600     -0.6081000      0.1405000    
 C   -2.226500     -0.7393000      0.3095000    
 C   -1.459300      -1.953700     -0.2517000    
 C  -0.4344000      -2.583200      0.7158000    
 C   -3.245400     -0.2062000     -0.7138000    
 C   -1.291200      0.3851000      0.7522000    
 C   0.4260000       1.985100     -4.9500000E-02
 C   0.3317000      -3.745500      8.2900003E-02
 C   -1.150100      -3.066500       1.980400    
 C    1.590100       1.942700      -1.046100    
 C   -4.506200      -1.047300     -0.7410000    
 C  -0.3408000       3.295700     -0.1854000    
 C    2.637000      0.9199000     -0.6777000    
 C    3.706800       1.280000      0.1417000    
 C    2.534100     -0.3860000      -1.156800    
 C    4.673900      0.3343000      0.4820000    
 C    3.501300      -1.331900     -0.8167000    
 C    4.571100     -0.9717000      2.7000001E-03
 C  -0.4911000       5.565400      0.8363000    
 C    5.348400      -3.211100     -0.1893000    
 H   -2.783700      -1.050400       1.201600    
 H   -2.177900      -2.727600     -0.5502000    
 H  -0.9311000      -1.664900      -1.169600    
 H   0.3035000      -1.825000       1.004600    
 H   -3.520100      0.8301000     -0.4776000    
 H   -2.825400     -0.1873000      -1.726800    
 H   0.8015000       1.900800      0.9785000    
 H   0.8522000      -3.417200     -0.8225000    
 H    1.081200      -4.143400      0.7750000    
 H  -0.3444000      -4.561500     -0.1938000    
 H  -0.4566000      -3.611600       2.630500    
 H   -1.541000      -2.232100       2.569900    
 H   -1.980000      -3.739400       1.739200    
 H  -0.6610000      0.5908000      -1.219000    
 H    2.074900       2.927000      -1.101200    
 H    1.225700       1.747700      -2.063900    
 H    3.796100       2.293700      0.5233000    
 H    1.704500     -0.6787000      -1.795200    
 H   0.8923000       4.042600       1.318900    
 H   -5.431700      0.2453000      0.6865000    
 H    5.504600      0.6204000       1.121300    
 H    3.360100      -2.327600      -1.222900    
 H   0.1823000       6.284400      0.3631000    
 H  -0.5910000       5.804100       1.897700    
 H   -1.469600       5.601900      0.3517000    
 H   -6.486100      -1.939700      0.8922000    
 H    6.187200      -3.812900      0.1758000    
 H    5.402100      -3.218100      -1.283200    
 H    4.431800      -3.680300      0.1842000    


%chk=000128564-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128564

0 1
O -1.375893 1.662867 1.735918
O -4.445355 -2.110754 -0.616660
O 0.389609 4.192618 -1.591744
O -6.521593 -1.553765 0.926978
O 4.748573 -2.877264 0.462823
N -0.136241 1.141889 -0.151490
N -0.868143 4.098555 0.381043
N -5.459864 -0.601415 0.751239
C -1.977323 -0.396654 0.552344
C -1.289371 -1.586894 -0.159591
C -0.085029 -2.217044 0.594475
C -3.287087 0.059945 -0.182173
C -1.120798 0.865698 0.763229
C 0.770378 2.307495 -0.015311
C 0.521202 -3.354125 -0.262635
C -0.487870 -2.753669 1.989825
C 2.078772 2.082673 -0.808477
C -4.407327 -0.957027 -0.053031
C 0.078961 3.625044 -0.498371
C 2.777542 0.767530 -0.496038
C 3.203894 0.448980 0.823646
C 3.040708 -0.173538 -1.518960
C 3.855157 -0.762792 1.109180
C 3.697345 -1.399362 -1.254647
C 4.100976 -1.696173 0.068840
C -1.649117 5.310455 0.112843
C 5.040257 -3.867169 -0.577208
H -2.266703 -0.700329 1.575347
H -2.058981 -2.365641 -0.322993
H -0.969310 -1.285108 -1.181956
H 0.700244 -1.445719 0.737593
H -3.609459 1.033432 0.233023
H -3.078570 0.203244 -1.258518
H 0.979869 2.416091 1.066903
H 0.840122 -2.983049 -1.254722
H 1.406411 -3.790928 0.235886
H -0.218470 -4.162867 -0.420269
H 0.367209 -3.269064 2.464507
H -0.805157 -1.946889 2.675283
H -1.318660 -3.481154 1.906718
H 0.072100 0.462494 -0.886996
H 2.739105 2.941304 -0.584373
H 1.849553 2.162962 -1.886428
H 3.028355 1.161453 1.639231
H 2.741674 0.056171 -2.549624
H -1.104603 3.485641 1.180595
H -5.598079 0.241223 1.306062
H 4.186174 -1.009624 2.122608
H 3.883611 -2.098471 -2.075306
H -1.541492 6.039034 0.937120
H -2.723410 5.078125 -0.014163
H -1.270779 5.761550 -0.818445
H -6.190875 -2.307113 0.333694
H 5.545993 -4.691984 -0.054370
H 5.711329 -3.449981 -1.353137
H 4.110934 -4.239809 -1.051120


