%chk=000167727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167727

0 1
 O  -0.2454000       1.182100      0.4504000    
 O   -4.036200     -0.1739000     -0.4859000    
 O   0.2133000      -1.113700       1.981000    
 O  -0.6490000       2.441900      -1.521400    
 O    2.548500     -0.2108000     -0.6895000    
 O   -1.692200       4.374000      4.4700000E-02
 O    3.214800      -2.528600      0.6831000    
 O  -0.1885000       3.528500       1.534700    
 O   -2.454700      -3.254700       1.072800    
 O    4.338400       1.122700     -9.3699999E-02
 N   -1.756000      -1.992000     -0.7537000    
 C   -1.701200     -0.7061000     -9.4999999E-02
 C  -0.2780000     -0.1253000     -0.1342000    
 C   -2.702200      0.2599000     -0.7417000    
 C   -2.544600       1.666800     -0.1682000    
 C   0.7125000     -0.9797000      0.6529000    
 C   -1.087300       2.120400     -0.2095000    
 C    2.127700     -0.3885000      0.6679000    
 C  -0.9187000       3.389700      0.5647000    
 C    3.170500      -1.270400       1.350900    
 C   -2.129800      -3.157300     -0.1077000    
 C   -2.125500      -4.346200      -1.030900    
 C    3.786600      0.3359000     -0.8510000    
 C    4.396800     -0.1749000      -2.121000    
 H   -2.014700     -0.8374000      0.9486000    
 H   6.0300000E-02 -5.1600002E-02  -1.176200    
 H   -2.569300      0.2785000      -1.829600    
 H   -2.909600       1.671400      0.8684000    
 H   -3.198000       2.351300     -0.7240000    
 H   0.7428000      -1.981400      0.2097000    
 H    2.114900      0.5842000       1.176700    
 H   -1.511700      -2.030200      -1.739200    
 H   -4.160800     -0.2194000      0.4773000    
 H    2.888900      -1.450200       2.393800    
 H    4.179600     -0.8518000       1.348400    
 H   0.1838000     -0.2260000       2.377300    
 H   -1.312900       2.137600      -2.161500    
 H   -2.248500      -5.264400     -0.4500000    
 H   -2.949900      -4.258200      -1.743700    
 H   -1.177500      -4.399700      -1.573800    
 H   -1.597200       5.215200      0.5402000    
 H    3.865800      -3.077400       1.152800    
 H    3.773900      0.1100000      -2.972600    
 H    4.505400      -1.261200      -2.069000    
 H    5.388300      0.2685000      -2.250800    


%chk=000167727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167727

0 1
O -0.298476 1.288327 0.645318
O -4.070427 -0.343152 -0.155741
O 0.446151 -0.530795 2.443642
O -0.912751 2.288505 -1.459026
O 2.481859 -0.617918 -0.680359
O -0.174051 4.295029 0.071183
O 3.026761 -2.552322 1.392431
O -1.737659 3.816176 1.730056
O -3.545066 -2.943651 -0.459839
O 4.192551 0.969735 -0.687641
N -1.405042 -2.048629 -0.672559
C -1.619605 -0.787529 0.091472
C -0.231456 -0.088797 0.110251
C -2.739101 0.115533 -0.521203
C -2.672307 1.553764 0.029034
C 0.780875 -0.791175 1.040705
C -1.274203 2.153537 -0.073047
C 2.236618 -0.345571 0.773037
C -1.128894 3.485629 0.699927
C 3.233597 -1.115830 1.639890
C -2.330246 -3.054527 -0.839251
C -1.830512 -4.328452 -1.504545
C 3.514041 0.109210 -1.291465
C 3.673181 -0.313179 -2.734802
H -1.926851 -1.038884 1.127582
H 0.163161 -0.044385 -0.923699
H -2.596802 0.123752 -1.623557
H -2.981396 1.542373 1.087809
H -3.394727 2.174131 -0.526585
H 0.728599 -1.886125 0.924861
H 2.359815 0.739332 0.949750
H -0.464953 -2.211158 -1.043294
H -4.092034 -1.352656 -0.234157
H 3.019125 -0.853277 2.695117
H 4.266266 -0.813290 1.380423
H 0.150988 0.419401 2.491663
H -0.141949 2.912986 -1.526843
H -1.901027 -5.159770 -0.781446
H -2.490673 -4.576733 -2.352178
H -0.789200 -4.260806 -1.862618
H -0.039622 5.141338 0.574574
H 3.427284 -3.071461 2.131441
H 2.697716 -0.323788 -3.249440
H 4.080403 -1.339140 -2.776633
H 4.363437 0.371839 -3.247741


