%chk=000178805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178805

0 1
 O   0.9433000     -0.5767000      0.2618000    
 O  -0.5722000       1.042200      0.9863000    
 O    4.107200       2.012500      0.6601000    
 O    4.375300     -0.3682000     -0.9857000    
 O    1.355100       3.046100      0.4820000    
 O    3.272100      -2.827200      -1.094300    
 O    1.571900      -3.047300      0.4080000    
 O   -2.420100       2.042400     -0.8328000    
 N   -5.138800      -1.883800     -0.2480000    
 C    3.026000       1.381400     -2.7600000E-02
 C    3.307000     -0.1209000     -7.3100001E-02
 C    1.714300       1.681700      0.6986000    
 C    2.076100     -0.8867000     -0.5418000    
 C   0.5793000      0.7989000      0.1791000    
 C    2.250500      -2.356800     -0.3377000    
 C   -1.698800      0.3303000      0.6771000    
 C   -2.620600      0.8344000     -0.2359000    
 C   -1.911100     -0.9041000       1.284500    
 C   -3.764500      9.8200001E-02 -0.5439000    
 C   -3.055100      -1.640300      0.9765000    
 C   -3.981800      -1.139100      6.2199999E-02
 C   -3.414900       2.482600      -1.755300    
 H    3.007900       1.811400      -1.036800    
 H    3.636600     -0.4683000      0.9139000    
 H    1.836900       1.549000       1.780700    
 H    1.837300     -0.7147000      -1.598700    
 H   0.3354000       1.060500     -0.8601000    
 H    4.924200       1.795200      0.1794000    
 H    4.096000     -6.4300001E-02  -1.866300    
 H    2.095600       3.594100      0.7938000    
 H   -1.196300      -1.299100       2.001100    
 H    3.404000      -3.791600     -0.9731000    
 H   -4.519800      0.4364000      -1.246000    
 H   -3.213500      -2.602700       1.456400    
 H   -5.811400      -1.523100     -0.9116000    
 H   -5.295200      -2.781500      0.1908000    
 H   -4.381800       2.635800      -1.264100    
 H   -3.486700       1.815200      -2.620900    
 H   -3.093300       3.458700      -2.133600    


%chk=000178805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178805

0 1
O 1.022246 -0.666345 0.187111
O -0.557205 0.702038 1.237076
O 3.919754 2.304435 0.637360
O 4.470622 0.129633 -1.136331
O 1.177005 3.016903 0.848627
O 3.713784 -2.457655 -1.484586
O 1.724952 -3.237589 -0.566549
O -1.995822 1.579480 -1.033876
N -5.571713 -1.649424 0.028808
C 2.884769 1.492726 -0.010493
C 3.351749 0.043527 -0.197372
C 1.627961 1.627974 0.865608
C 2.141756 -0.782310 -0.738524
C 0.511889 0.741290 0.295337
C 2.434220 -2.274780 -0.884284
C -1.779691 0.085949 0.837190
C -2.558071 0.545100 -0.262722
C -2.283065 -0.944241 1.648736
C -3.815913 -0.038780 -0.531207
C -3.541004 -1.526741 1.398793
C -4.322289 -1.079709 0.298480
C -2.831744 2.193769 -2.065536
H 2.662255 1.904237 -1.020792
H 3.670950 -0.385352 0.775722
H 1.856578 1.288787 1.897188
H 1.888477 -0.386967 -1.751775
H 0.176434 1.083825 -0.704410
H 4.749527 2.210177 0.102479
H 4.720679 -0.797998 -1.397298
H 1.961330 3.570459 1.103203
H -1.664400 -1.280390 2.486099
H 3.887492 -3.430834 -1.598293
H -4.414311 0.307675 -1.380347
H -3.912559 -2.327779 2.047504
H -6.132481 -1.338069 -0.757696
H -5.931088 -2.401067 0.608676
H -3.768293 2.595189 -1.632914
H -3.072181 1.475088 -2.873840
H -2.226501 3.018372 -2.470153


