%chk=000030627.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030627

0 1
 O  -0.3185000      -2.859800      -1.058400    
 O   -3.229100      0.9409000       2.415400    
 O   -3.816000      0.5938000      -2.324900    
 O   -4.563300       1.689100      0.1067000    
 O    6.432400       2.944000      0.1010000    
 O    6.607000       1.235700      -1.385200    
 N   0.6206000      -1.943400      0.8544000    
 C    3.393000     -0.8556000      0.6496000    
 C    2.944600      -2.226200      0.1369000    
 C    4.553300     -0.2583000     -0.1487000    
 C    1.768300      -2.808100      0.9127000    
 C    4.951600       1.113500      0.3956000    
 C  -0.3429000      -2.042500     -0.1420000    
 C   -1.453800      -1.058200     -7.6800004E-02
 C    6.072900       1.735100     -0.4047000    
 C   -2.124100     -0.6846000      -1.241700    
 C   -1.828400     -0.5095000       1.149600    
 C   -2.873100      0.4127000       1.211300    
 C   -3.168900      0.2376000      -1.180000    
 C   -3.543400      0.7861000      4.6500001E-02
 C   -2.493000      0.5060000       3.557100    
 C   -3.371100     -1.3300000E-02  -3.536300    
 C   -4.218600       3.064900     -3.7799999E-02
 H    2.551500     -0.1532000      0.6137000    
 H    3.685700     -0.9454000       1.703200    
 H    3.786600      -2.926600      0.1930000    
 H    2.674000      -2.139100     -0.9229000    
 H    4.265200     -0.1694000      -1.203500    
 H    5.414800     -0.9365000     -0.1127000    
 H    1.505000      -3.791200      0.5081000    
 H    2.030400      -2.934100       1.968300    
 H    5.286000       1.017100       1.434400    
 H    4.092900       1.792800      0.3578000    
 H   0.5791000      -1.200200       1.543000    
 H   -1.790200      -1.135200      -2.170000    
 H   -1.319400     -0.8519000       2.041500    
 H    7.160500       3.353400     -0.4135000    
 H   -1.435700      0.7840000       3.488200    
 H   -2.635100     -0.5636000       3.746100    
 H   -2.902400       1.036200       4.423500    
 H   -3.996400      0.3834000      -4.343100    
 H   -3.521300      -1.098300      -3.523900    
 H   -2.337800      0.2638000      -3.771400    
 H   -3.538100       3.377700      0.7604000    
 H   -3.759600       3.246800      -1.014800    
 H   -5.135100       3.656900      3.2900002E-02


%chk=000030627-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030627

0 1
O -0.167668 -2.563707 -1.293649
O -3.330859 1.062171 2.546938
O -4.148302 0.610174 -2.143029
O -4.802496 1.632517 0.397456
O 7.118758 2.698281 0.493976
O 7.241100 1.083797 -1.169689
N 0.702537 -1.865791 0.742851
C 3.664036 -0.870587 0.600017
C 3.073522 -2.111347 -0.104522
C 4.879694 -0.286111 -0.152652
C 1.878109 -2.748916 0.643915
C 5.454285 0.958803 0.549066
C -0.267571 -1.839274 -0.249891
C -1.433022 -0.908358 -0.036705
C 6.668426 1.533629 -0.153938
C -2.199804 -0.585306 -1.176530
C -1.789526 -0.381732 1.229776
C -2.898974 0.489705 1.343724
C -3.313780 0.272858 -1.065246
C -3.671016 0.841114 0.194280
C -2.617620 0.680531 3.766039
C -3.882221 -0.044400 -3.429339
C -4.948076 2.851995 -0.426325
H 2.880332 -0.089434 0.690556
H 3.965637 -1.142128 1.634794
H 3.861699 -2.884537 -0.211025
H 2.745510 -1.848328 -1.128014
H 4.587916 -0.024265 -1.187587
H 5.670877 -1.054556 -0.244572
H 1.554271 -3.655020 0.103449
H 2.180674 -3.041309 1.668316
H 5.749039 0.726847 1.592027
H 4.695353 1.761809 0.626837
H 0.663643 -1.181992 1.498178
H -1.907808 -1.045503 -2.124218
H -1.245939 -0.680239 2.130817
H 7.916765 3.049842 0.012836
H -1.553001 0.987558 3.728759
H -2.684345 -0.409936 3.949375
H -3.128802 1.222806 4.574750
H -4.674388 0.316445 -4.101598
H -3.940632 -1.144906 -3.334381
H -2.890699 0.241378 -3.829356
H -4.091430 3.531970 -0.256291
H -5.028850 2.598628 -1.495947
H -5.875253 3.322124 -0.065629


