%chk=000149339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149339

0 1
 O   -1.649300     -0.9371000     -0.1487000    
 O    4.276900      0.9401000      0.4088000    
 O    4.119300      -1.799400      0.7844000    
 O    2.024600       2.348300     -0.3751000    
 O  -0.6726000      -2.918700     -0.7952000    
 O   -7.795100       1.749900      0.7654000    
 O   -8.053100     -0.3304000      9.9299997E-02
 O    3.671100       1.259800       2.647300    
 O    4.656800      -2.118700      -1.471400    
 O    2.596100       1.969200      -2.613200    
 N   -5.294700     -0.6699000     -2.9800000E-02
 N   -3.667900      0.7733000      0.4206000    
 N   -7.304500      0.6413000      0.4064000    
 C   -3.946600     -0.4505000      2.9899999E-02
 C   -2.949700      -1.510900     -0.3206000    
 C   -5.915200      0.4878000      0.3472000    
 C   0.6820000      -1.047400     -0.2051000    
 C   -5.939800      -1.902700     -0.4230000    
 C    3.096300      0.2880000      0.2085000    
 C    3.021200      -1.092000      0.3976000    
 C    1.964300       1.000200     -0.1875000    
 C    1.814000      -1.759600      0.1907000    
 C   0.7572000      0.3326000     -0.3944000    
 C   -4.890800       1.363400      0.6206000    
 C  -0.5773000      -1.743300     -0.4182000    
 C    4.460600       1.398800       1.722500    
 C    4.894200      -2.282500     -0.2821000    
 C    2.363000       2.729800      -1.683300    
 C    5.781900       2.098800       1.839700    
 C    6.074100      -3.044000      0.2453000    
 C    2.403000       4.225700      -1.786800    
 H   -3.056000      -2.369900      0.3507000    
 H   -3.072400      -1.818300      -1.364800    
 H   -6.536300      -2.273900      0.4143000    
 H   -5.197100      -2.662700     -0.6727000    
 H   -6.547700      -1.717400      -1.312100    
 H    1.764300      -2.835100      0.3447000    
 H  -0.1099000      0.9061000     -0.7131000    
 H   -4.964400       2.389900      0.9508000    
 H    5.801800       2.962800       1.171000    
 H    5.917900       2.447900       2.867200    
 H    6.589800       1.404300       1.596800    
 H    6.693900      -2.384800      0.8582000    
 H    6.674600      -3.408800     -0.5927000    
 H    5.729200      -3.901300      0.8284000    
 H    1.419700       4.638400      -1.548500    
 H    2.664000       4.511900      -2.809500    
 H    3.162300       4.621800      -1.108100    


%chk=000149339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149339

0 1
O -1.796460 -1.839236 -0.459018
O 4.044404 0.659309 0.072221
O 4.062927 -1.906568 1.188881
O 1.745611 1.735439 -0.985893
O -0.798214 -3.656667 0.631014
O -6.760838 1.976645 1.356631
O -5.503331 2.398273 -0.512951
O 3.187271 2.327088 1.497020
O 5.145857 -2.069097 -0.891562
O -0.550764 2.205787 -1.266931
N -4.362637 -0.235141 -0.281344
N -4.842246 -1.778593 1.335531
N -5.886704 1.632578 0.465735
C -4.102877 -1.507156 0.220141
C -3.141321 -2.479698 -0.384430
C -5.322621 0.319592 0.584571
C 0.517283 -1.668316 0.083732
C -3.712829 0.394196 -1.453959
C 2.847579 -0.084231 0.084997
C 2.876180 -1.403959 0.593134
C 1.636902 0.426990 -0.454196
C 1.720920 -2.199699 0.601045
C 0.471880 -0.360648 -0.456586
C -5.605598 -0.649696 1.564149
C -0.711350 -2.511895 0.135229
C 4.103833 1.915031 0.772724
C 5.190970 -2.177652 0.342193
C 0.639217 2.569043 -1.310333
C 5.426282 2.571373 0.469667
C 6.350784 -2.613037 1.202345
C 1.160184 3.930349 -1.697935
H -3.097920 -3.382366 0.246524
H -3.406613 -2.758987 -1.419636
H -4.474697 0.824873 -2.118500
H -3.131310 -0.375742 -1.980627
H -3.029137 1.198485 -1.137267
H 1.746277 -3.211583 1.014422
H -0.460124 0.032215 -0.853780
H -6.302303 -0.567457 2.393347
H 5.457531 2.864777 -0.594609
H 5.555234 3.460330 1.103080
H 6.254379 1.862012 0.634208
H 6.617492 -1.809771 1.910725
H 7.214514 -2.855322 0.567359
H 6.066906 -3.494394 1.802680
H 1.616701 4.412970 -0.815384
H 0.332506 4.550939 -2.069356
H 1.943969 3.839418 -2.468606


