%chk=000126875.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126875

0 1
 O  -0.4484000      0.5740000      0.3882000    
 O    1.224200      -1.078800      0.4141000    
 O   -3.641600      -1.254800      0.6070000    
 O   -1.879900       1.563500      -1.874100    
 O    4.062900       1.622000     -0.9321000    
 O    4.544000      -1.213300      -1.179500    
 O   -3.756700     -0.4719000      -2.156000    
 O   -4.912400      0.6913000       1.085800    
 O    1.598100      -3.781700      0.5744000    
 N    2.095500       1.582000       1.056000    
 N    1.881800       2.775200       1.316200    
 N    1.690300       3.870500       1.570900    
 C   -1.634500     -4.8200000E-02 -9.9500000E-02
 C   0.7111000      6.7800000E-02 -0.2665000    
 C   -2.521300       1.034500     -0.7158000    
 C    1.772200       1.167600     -0.3221000    
 C    3.034700      0.6377000      -1.000900    
 C   -2.377100     -0.7489000       1.046800    
 C    3.504700     -0.6752000     -0.3656000    
 C    2.339000      -1.670500     -0.2628000    
 C   -3.892700      0.4708000      -1.091400    
 C   -4.527700     -0.2542000      9.3800001E-02
 C   -1.589900      -1.934700       1.597700    
 C    2.723700      -2.924800      0.5155000    
 H   -1.415200     -0.7947000     -0.8761000    
 H   0.4737000     -0.2071000      -1.304000    
 H   -2.641800       1.866200     -1.0500000E-02
 H    1.386000       2.027700     -0.8867000    
 H    2.836600      0.4737000      -2.067300    
 H   -2.541500     -5.0000001E-02   1.877100    
 H    3.930300     -0.4811000      0.6267000    
 H    2.009800      -1.979500      -1.264300    
 H   -4.540400       1.279200      -1.449000    
 H   -5.429600     -0.7771000     -0.2444000    
 H   -2.190900      -2.481600       2.332800    
 H   -1.342500      -2.646800      0.8030000    
 H  -0.6680000      -1.612200       2.088400    
 H    2.998600      -2.677600       1.545800    
 H    3.555000      -3.460700      4.7699999E-02
 H   -1.027600       1.935900      -1.591100    
 H    4.264400       1.775500      6.6999998E-03
 H    5.249800     -0.5462000      -1.229900    
 H   -3.314900     -1.5500000E-02  -2.892300    
 H   -5.652800      0.3018000       1.581000    
 H    1.363600      -4.025300     -0.3374000    


%chk=000126875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126875

0 1
O -0.378643 0.788315 0.071065
O 1.121476 -1.025692 0.144622
O -3.526107 -1.141584 0.887947
O -2.100577 1.371879 -2.187636
O 4.391307 1.518169 -0.740195
O 4.652661 -1.370819 -0.979357
O -3.801247 -0.780251 -2.124901
O -5.016256 0.756829 0.948096
O 1.481384 -4.019150 -0.095472
N 2.254266 1.653746 1.004383
N 1.387803 2.251868 1.709364
N 0.723696 2.806111 2.516698
C -1.642379 0.022641 -0.146630
C 0.787996 0.226786 -0.534178
C -2.612623 0.974663 -0.862999
C 1.934362 1.263306 -0.405941
C 3.239001 0.635219 -0.944127
C -2.253721 -0.420143 1.203616
C 3.516353 -0.743923 -0.303319
C 2.300663 -1.682374 -0.463874
C -3.961194 0.284909 -1.134115
C -4.506658 -0.360030 0.150919
C -1.404993 -1.395265 2.010969
C 2.498719 -3.023132 0.252235
H -1.439270 -0.870733 -0.767057
H 0.619341 0.007720 -1.619078
H -2.779874 1.863678 -0.222820
H 1.674093 2.165112 -0.996833
H 3.167820 0.508183 -2.039849
H -2.497024 0.484243 1.800142
H 3.724758 -0.597448 0.778297
H 2.121622 -1.849099 -1.551696
H -4.689284 1.041646 -1.486250
H -5.294691 -1.093673 -0.096925
H -1.956683 -1.702261 2.916125
H -1.162322 -2.292169 1.416942
H -0.456521 -0.919925 2.308727
H 2.383557 -2.871534 1.338259
H 3.522782 -3.386950 0.037000
H -1.314768 1.957301 -2.054368
H 4.316468 1.877089 0.186544
H 5.373092 -0.688646 -1.031705
H -3.308716 -0.380796 -2.889155
H -5.421586 0.392667 1.775519
H 1.634516 -4.331982 -1.022691


