%chk=000128720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128720

0 1
 O    5.546700      0.3643000       2.447000    
 O    3.235800      -3.036600     -0.4688000    
 O    3.323800      0.3275000       2.902800    
 O    3.612100       3.515400      -1.900500    
 O    5.184800       2.013400      -2.547100    
 O   -1.060900       1.742700      -1.660000    
 N    2.764400      -1.079700      0.6833000    
 N   -4.821300      0.6285000      0.9971000    
 N   -3.783600       2.780000       1.078000    
 N   -1.894600       3.347700     -0.2526000    
 N   -2.865600       4.875600       1.235800    
 C   -3.199500      -3.488400     -0.2268000    
 C    4.126000     -0.6250000      0.8097000    
 C   -4.026600      -2.469500      -1.035800    
 C    4.577800      0.2295000     -0.3808000    
 C   -1.744200      -3.171200     -0.1566000    
 C   -3.940600      -1.065700     -0.4881000    
 C    3.809800       1.540500     -0.5921000    
 C   0.9789000      -2.580400     -2.4900001E-02
 C  -0.8750000      -3.668400      -1.127800    
 C   -1.251900      -2.378800      0.8804000    
 C    2.429200      -2.265700      4.4700000E-02
 C   -2.957900     -0.1863000     -0.9228000    
 C   0.4866000      -3.372900      -1.061800    
 C   0.1097000      -2.083500      0.9462000    
 C   -2.914900       1.101500     -0.3907000    
 C   -4.839200     -0.6147000      0.4631000    
 C    4.253400      7.4199997E-02   2.147500    
 C   -3.858600       1.478600      0.5660000    
 C    4.285200       2.340500      -1.785600    
 C   -1.885100       2.085700     -0.8181000    
 C   -2.804700       3.641300      0.6392000    
 H   -3.604800      -3.563200      0.7914000    
 H   -3.338900      -4.484800     -0.6663000    
 H    4.764100      -1.516500      0.8617000    
 H   -3.696400      -2.467600      -2.082900    
 H   -5.076000      -2.789900      -1.054100    
 H    4.501600     -0.3704000      -1.297500    
 H    5.643400      0.4679000     -0.2654000    
 H    2.037600     -0.4527000       1.012200    
 H    3.917300       2.174600      0.2949000    
 H    2.746300       1.324800     -0.7436000    
 H   -1.246900      -4.284100      -1.942400    
 H   -1.914000      -1.996700       1.653100    
 H   -2.239100     -0.5013000      -1.674100    
 H    1.146900      -3.765200      -1.830700    
 H   0.4559000      -1.490400       1.787400    
 H   -5.627900      -1.256900      0.8429000    
 H   -4.468100       3.053200       1.772100    
 H    5.629900      0.8024000       3.320700    
 H    3.929500       4.045300      -2.662600    
 H   -3.575500       5.095400       1.925900    
 H   -2.201100       5.605000       1.001300    


%chk=000128720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128720

0 1
O 5.385239 0.464434 1.946638
O 3.234258 -3.193369 0.013695
O 3.294244 -0.069809 2.800325
O 3.183679 4.363893 -0.886909
O 3.933909 2.916218 -2.533633
O 0.162314 0.740048 -0.356728
N 2.446471 -1.004040 0.268949
N -4.671910 0.995281 0.092154
N -3.254371 2.835936 0.490408
N -0.863660 2.758525 0.198833
N -1.896027 4.742101 0.847278
C -3.442369 -3.604629 0.012665
C 3.784742 -0.431411 0.373313
C -3.970841 -2.594916 -1.076169
C 4.052883 0.728158 -0.625662
C -1.939521 -3.479559 0.196446
C -3.732986 -1.137613 -0.720457
C 3.249188 2.014070 -0.329421
C 0.830072 -2.811546 0.223608
C -1.048145 -4.037294 -0.758920
C -1.400703 -2.667324 1.226727
C 2.270240 -2.375158 0.163886
C -2.440448 -0.555723 -0.745803
C 0.326673 -3.724429 -0.736138
C -0.032819 -2.318907 1.232620
C -2.252345 0.773232 -0.304471
C -4.805785 -0.306401 -0.290637
C 4.069400 -0.011656 1.824295
C -3.410377 1.500532 0.083270
C 3.506168 3.080254 -1.368625
C -0.907040 1.408761 -0.168860
C -1.989614 3.416466 0.498479
H -3.970800 -3.413599 0.965090
H -3.718109 -4.622992 -0.321671
H 4.490107 -1.255212 0.140831
H -3.471308 -2.835470 -2.033827
H -5.053634 -2.772314 -1.221245
H 3.815516 0.365378 -1.640657
H 5.133148 0.955214 -0.602053
H 1.625836 -0.383463 0.205910
H 3.489567 2.429997 0.665814
H 2.156002 1.815202 -0.329973
H -1.440505 -4.699364 -1.541230
H -2.065319 -2.264710 2.000356
H -1.564272 -1.112369 -1.089061
H 1.014672 -4.151557 -1.473371
H 0.365689 -1.654202 2.007123
H -5.828075 -0.702236 -0.258279
H -4.105778 3.331198 0.768784
H 5.557787 0.702888 2.897541
H 3.338090 5.019613 -1.620972
H -2.698268 5.326798 1.066714
H -0.957066 5.136072 0.866920


