%chk=000169016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169016

0 1
 O    1.773400     -9.5200002E-02  -1.027600    
 O    4.093900       1.346100      0.3546000    
 O    2.220900      -2.859000     -0.9044000    
 O  -0.6835000       3.050500     -0.1800000    
 O   -2.702300      -2.607600       1.228000    
 N  -0.2295000      0.7916000     -0.2050000    
 N   -2.458500       1.640900     -0.1088000    
 N   -4.292900      0.2378000     -3.4699999E-02
 C    3.195500      0.3407000      0.8187000    
 C    1.191600      0.9716000     -0.2650000    
 C    1.846100      0.9573000       1.106700    
 C    2.892800     -0.6419000     -0.3040000    
 C    2.492500      -2.020000      0.2066000    
 C  -0.7138000     -0.4956000     -0.1866000    
 C   -1.100400       1.891100     -0.1654000    
 C   -2.019800     -0.7714000     -0.1317000    
 C   -2.928300      0.4191000     -9.1300003E-02
 C   -2.577600      -2.156000     -0.1101000    
 H    3.652500     -0.1314000       1.693400    
 H    1.428900       1.906800     -0.7859000    
 H    1.290000      0.3186000       1.803500    
 H    1.895600       1.962000       1.538400    
 H    3.721300     -0.7289000      -1.015700    
 H    1.617800      -1.999500      0.8604000    
 H    3.321400      -2.463800      0.7685000    
 H    4.215400       1.984100       1.078500    
 H  -1.7999999E-02  -1.316600     -0.2256000    
 H    1.983000      -3.733200     -0.5514000    
 H   -1.897800      -2.846600     -0.6223000    
 H   -3.539100      -2.245400     -0.6229000    
 H   -4.730200     -0.6745000      2.0000000E-02
 H   -4.915100       1.039000     -1.0600000E-02
 H   -3.353400      -2.037700       1.672200    


%chk=000169016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169016

0 1
O 1.924080 -0.054423 -1.162746
O 4.419982 0.808737 0.304104
O 1.214044 -2.773596 -0.277991
O -0.507102 2.956918 0.495674
O -1.572929 -3.146242 0.300232
N -0.184845 0.811959 -0.381153
N -2.339696 1.468777 0.499663
N -4.111061 -0.018281 0.567015
C 3.139734 0.337449 0.848867
C 1.288735 1.115271 -0.585435
C 2.009352 1.402289 0.765277
C 2.655641 -0.786775 -0.086155
C 1.788559 -1.823321 0.665839
C -0.683655 -0.407632 -0.733527
C -1.026737 1.831865 0.238021
C -1.982323 -0.792772 -0.418930
C -2.799474 0.228063 0.213963
C -2.342822 -2.241653 -0.627508
H 3.277306 -0.017185 1.891999
H 1.362825 1.943880 -1.305774
H 1.305627 1.308517 1.608449
H 2.401261 2.431356 0.784803
H 3.494559 -1.283961 -0.596462
H 1.001083 -1.308230 1.259159
H 2.458618 -2.350111 1.379708
H 4.687884 1.638756 0.773528
H 0.026713 -1.089197 -1.214935
H 0.292155 -3.051012 0.008274
H -2.035303 -2.602558 -1.621347
H -3.423647 -2.448908 -0.508954
H -4.601363 -0.865392 0.295676
H -4.627774 0.753266 0.987277
H -1.837029 -2.942954 1.233890


