%chk=000122803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122803

0 1
 O  -0.8594000      9.6299998E-02 -0.1292000    
 O    1.808300      0.7823000     -0.4491000    
 O    3.254100     -0.8101000      -1.444800    
 O  -0.2291000       3.438000      -1.489100    
 O   -1.860600       3.959800      0.8393000    
 O   -2.541300     -0.7612000       1.241900    
 O   -3.794400       1.776100       1.254400    
 O    5.408100      0.5654000     -2.1900000E-02
 O    2.603500     -0.4912000       2.063700    
 O    5.128700      -2.315700      0.1851000    
 O   -5.048400      -2.073600      0.6375000    
 N   -3.120700      -2.409100     -0.5449000    
 N   -4.386300      -2.364600     -0.4136000    
 C  -0.4722000       1.070500      -1.099700    
 C  -0.5364000       2.471800     -0.4875000    
 C   -1.928900       2.753900      7.6800004E-02
 C   -2.404700       1.610900      0.9734000    
 C   -2.211300      0.2546000      0.2952000    
 C   0.9382000      0.7213000      -1.564400    
 C    3.149500      0.4666000     -0.8087000    
 C    4.054100      0.5447000      0.4257000    
 C    3.844000     -0.6408000       1.376900    
 C    3.816800      -1.973600      0.6256000    
 C    2.907900      -1.906200     -0.5976000    
 C   -2.388900      -2.073800      0.6920000    
 C   -5.130800      -2.692400      -1.636900    
 H   -1.137800       1.000500      -1.970400    
 H   0.1935000       2.588800      0.3237000    
 H   -2.650200       2.936200     -0.7295000    
 H   -1.876300       1.644500       1.934400    
 H   -2.888800      0.1692000     -0.5644000    
 H    1.276500       1.404300      -2.351300    
 H   0.9229000     -0.2959000      -1.971600    
 H    3.493700       1.207600      -1.540900    
 H    3.858200       1.485700      0.9536000    
 H    4.646300     -0.6656000       2.124000    
 H    3.469900      -2.773200       1.290100    
 H    1.855600      -1.827400     -0.3025000    
 H    3.012700      -2.814700      -1.200100    
 H   0.7278000       3.400200      -1.654900    
 H   -1.542700       4.661900      0.2459000    
 H   -4.069400       1.028600       1.812700    
 H    5.975000      0.6503000      0.7635000    
 H    2.640700      0.3461000       2.556700    
 H    5.077200      -3.184600     -0.2482000    
 H   -1.322300      -2.255000      0.5130000    
 H   -2.666700      -2.784200       1.480800    
 H   -4.867400      -3.707800      -1.943900    
 H   -6.203200      -2.633600      -1.433600    
 H   -4.861100      -1.970700      -2.412300    


%chk=000122803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122803

0 1
O -0.386773 -0.231661 -0.593158
O 2.257525 1.099275 -0.793430
O 3.370029 -1.000683 -1.246869
O -0.137257 3.498655 -1.070571
O -2.033504 3.299660 1.052435
O -2.007714 -1.467107 0.590949
O -3.681273 0.847141 0.862173
O 5.813248 0.394247 -0.037037
O 2.582975 0.577111 1.914504
O 5.066130 -2.027291 0.998316
O -4.782686 -1.942404 1.269267
N -3.819331 -2.369589 -0.842645
N -4.815606 -2.049526 -0.040032
C -0.121730 1.017108 -1.348189
C -0.376475 2.211066 -0.397837
C -1.848443 2.242065 0.065033
C -2.229755 0.904362 0.708650
C -1.808145 -0.277584 -0.195666
C 1.294078 0.933495 -1.902761
C 3.556576 0.421923 -1.017396
C 4.422762 0.741523 0.229064
C 3.858844 0.009572 1.479522
C 3.687275 -1.505492 1.181448
C 2.822668 -1.722851 -0.069133
C -2.533380 -2.630280 -0.132914
C -6.108528 -1.704835 -0.713271
H -0.819268 1.086914 -2.215348
H 0.272710 2.111219 0.493834
H -2.494539 2.417114 -0.824994
H -1.707862 0.804312 1.682459
H -2.440881 -0.288601 -1.112842
H 1.458073 1.737914 -2.646272
H 1.448617 -0.051627 -2.379399
H 4.039378 0.786058 -1.941558
H 4.398357 1.830514 0.402125
H 4.558138 0.134013 2.321627
H 3.204293 -1.990492 2.052634
H 1.780501 -1.401378 0.123735
H 2.814443 -2.781662 -0.382001
H 0.822895 3.725905 -0.992115
H -1.714261 4.139948 0.630297
H -3.903139 0.053941 1.422260
H 5.908359 -0.586384 0.151283
H 2.053243 0.778737 1.089577
H 5.039415 -2.966048 0.687333
H -1.830328 -2.955331 -0.918261
H -2.653248 -3.400529 0.650497
H -6.224340 -0.609705 -0.659360
H -6.067109 -2.041452 -1.756913
H -6.921059 -2.190177 -0.154149


