%chk=000082524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082524

0 1
 O   0.7995000      -3.496400     -5.2000000E-03
 O  -0.7988000       3.496900      3.1000001E-03
 O   -1.366700      -3.382300     -0.6844000    
 O    1.366600       3.383000      0.6845000    
 N   -2.544800      -1.114100      0.4038000    
 N    2.544900       1.115000     -0.4022000    
 C   -1.260400     -0.5632000      0.1986000    
 C    1.260600      0.5637000     -0.1983000    
 C  -0.1804000      -1.374800     -0.1489000    
 C   0.1807000       1.375300      0.1491000    
 C   -1.079800      0.8119000      0.3477000    
 C    1.080000     -0.8113000     -0.3473000    
 C   -3.841400     -0.5991000      0.2220000    
 C    3.841600      0.6000000     -0.2205000    
 C   -4.891700      -1.042400       1.028900    
 C   -4.083400      0.3572000     -0.7667000    
 C    4.891700       1.043200      -1.027700    
 C    4.083500     -0.3573000      0.7672000    
 C   -6.415900      0.4226000     -0.1404000    
 C    6.415500     -0.4241000      0.1393000    
 C  -0.3368000      -2.814800     -0.3119000    
 C   0.3368000       2.815100      0.3121000    
 C   -6.177300     -0.5323000      0.8479000    
 C   -5.368900      0.8675000     -0.9477000    
 C    6.177000      0.5319000     -0.8480000    
 C    5.368700     -0.8687000      0.9470000    
 C   -7.790400      0.9680000     -0.3335000    
 C    7.789800     -0.9705000      0.3314000    
 H   -1.913200       1.436900      0.6584000    
 H    1.913500      -1.436200     -0.6577000    
 H   -2.531300      -2.053300      0.7909000    
 H    2.531500       2.054600     -0.7884000    
 H   -4.718900      -1.786100       1.802900    
 H   -3.292800      0.7053000      -1.426000    
 H    4.718800       1.786800      -1.801700    
 H    3.292800     -0.7060000       1.426100    
 H   -6.985000     -0.8880000       1.482100    
 H   -5.543800       1.606200      -1.725500    
 H    6.983900      0.8847000      -1.484900    
 H    5.542800      -1.610800       1.721700    
 H   -8.340000      0.3547000      -1.054500    
 H   -8.345800      0.9829000      0.6103000    
 H   -7.758300       1.999000     -0.7022000    
 H    8.550700     -0.2272000      7.0200004E-02
 H    7.961400      -1.250300       1.376400    
 H    7.933300      -1.855300     -0.2966000    
 H   0.6866000      -4.464300     -0.1182000    
 H  -0.6856000       4.464900      0.1151000    


%chk=000082524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082524

0 1
O 0.924062 -3.552358 -0.109016
O -0.920594 3.560103 0.098565
O -1.353996 -3.520304 0.277503
O 1.357347 3.527753 -0.288733
N -2.602078 -1.142710 0.239994
N 2.605988 1.149810 -0.246655
C -1.339165 -0.564137 0.108457
C 1.342574 0.571835 -0.116837
C -0.157202 -1.401547 0.025043
C 0.160626 1.409217 -0.034187
C -1.127454 0.836507 0.081934
C 1.130870 -0.828769 -0.090946
C -3.884087 -0.545505 0.123152
C 3.886658 0.551531 -0.122112
C -4.955475 -1.139773 0.846607
C -4.173713 0.556910 -0.726376
C 4.964404 1.147263 -0.834566
C 4.169663 -0.548871 0.732517
C -6.563690 0.473473 -0.097939
C 6.564295 -0.467275 0.121937
C -0.280956 -2.868403 0.077661
C 0.284475 2.876082 -0.087450
C -6.266674 -0.639552 0.731220
C -5.490329 1.054302 -0.819612
C 6.275148 0.648745 -0.705820
C 5.485787 -1.044276 0.839321
C -7.982575 0.998173 -0.233327
C 7.970969 -1.030500 0.223803
H -1.970864 1.518655 0.189256
H 1.974498 -1.510756 -0.197962
H -2.574545 -2.162445 0.406977
H 2.579602 2.169520 -0.413649
H -4.747831 -1.988975 1.508429
H -3.389046 1.002726 -1.343864
H 4.763946 2.002007 -1.491495
H 3.381095 -0.988689 1.349442
H -7.072562 -1.115663 1.303218
H -5.687827 1.905679 -1.482717
H 7.087152 1.130107 -1.264541
H 5.679551 -1.889735 1.511091
H -8.526578 0.479793 -1.047384
H -8.560983 0.844796 0.695121
H -7.995229 2.077374 -0.467253
H 8.733685 -0.244128 0.082943
H 8.147353 -1.503397 1.206327
H 8.151114 -1.803821 -0.548758
H 0.743585 -4.528842 -0.055669
H -0.740192 4.536570 0.044646


