%chk=000128651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128651

0 1
 O    4.545600     -0.1139000       1.370200    
 O    2.439800      0.1393000       2.259100    
 O    1.279600      -3.140800      -1.046900    
 N    1.257400      -1.142600      0.1301000    
 N    3.296700       2.376300      -1.360100    
 N   -3.795000      0.8428000      0.2114000    
 N   -1.412400      -1.315300      0.2964000    
 N    1.199000       3.104900      -1.333600    
 N   -5.537800       4.095600      0.7205000    
 C    2.679400     -0.9093000      9.4800003E-02
 C    3.089100     -0.1375000      -1.168200    
 C    2.514800       1.261300      -1.248700    
 C    3.189100     -0.2424000       1.365900    
 C   0.6689000      -2.256100     -0.4530000    
 C   -3.428200     -0.2509000       1.112100    
 C  -0.8111000      -2.337400     -0.3526000    
 C   -2.759300      -1.376200      0.3954000    
 C    1.224500       1.736300      -1.234000    
 C   -4.451900       1.913500      0.9440000    
 C   -1.489800      -3.412000     -0.9043000    
 C   -3.529300      -2.405800     -0.1215000    
 C    2.462900       3.458800      -1.407400    
 C   -4.863000       3.029500     -1.1700000E-02
 C   -2.874700      -3.439300     -0.7822000    
 C    5.105800      0.5212000       2.524100    
 H    3.164000      -1.894200      6.4000003E-02
 H    4.183300     -7.9000004E-02  -1.228300    
 H    2.758500     -0.6855000      -2.060100    
 H   0.6678000     -0.4631000      0.6026000    
 H   -4.316400     -0.6308000       1.633300    
 H   -2.747000      0.1196000       1.889500    
 H    4.307000       2.400200      -1.399500    
 H   0.3064000       1.170900      -1.166700    
 H   -3.779600       2.316000       1.712400    
 H   -5.344600       1.525300       1.450700    
 H   -2.957300       1.205700     -0.2439000    
 H  -0.9802000      -4.218900      -1.419800    
 H   -4.609500      -2.418100     -2.2900000E-02
 H    2.837500       4.468700      -1.495200    
 H   -3.982400       3.446200     -0.5134000    
 H   -5.535700       2.642800     -0.7859000    
 H   -3.442900      -4.264300      -1.201600    
 H    6.191300      0.5564000       2.399200    
 H    4.874200     -5.5799998E-02   3.424300    
 H    4.729300       1.544800       2.612300    
 H   -5.850700       4.810200      6.4499997E-02
 H   -6.378400       3.728500       1.165000    


%chk=000128651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128651

0 1
O 4.648386 -0.074217 1.532229
O 2.470929 0.440817 2.177134
O 1.321844 -3.089331 -1.034096
N 1.409563 -1.075524 0.143249
N 4.241508 1.693114 -1.102081
N -4.443029 1.062106 0.361394
N -1.260619 -0.800875 0.099723
N 2.822100 2.599459 -2.607283
N -7.206776 3.349807 1.558153
C 2.860916 -1.099313 0.275975
C 3.605226 -0.777668 -1.071311
C 3.443593 0.629275 -1.564747
C 3.256789 -0.166629 1.419307
C 0.739772 -2.086920 -0.500665
C -3.117063 0.624937 0.840485
C -0.760062 -1.911794 -0.522725
C -2.611674 -0.608271 0.103256
C 2.577831 1.219260 -2.492694
C -5.117414 2.064160 1.217427
C -1.571212 -2.868423 -1.170459
C -3.498164 -1.521757 -0.525525
C 3.833311 2.852683 -1.753719
C -6.532216 2.371771 0.685008
C -2.968749 -2.662222 -1.168498
C 5.138194 0.715809 2.693560
H 3.172431 -2.129164 0.551015
H 4.672967 -1.026500 -0.929130
H 3.198397 -1.484920 -1.813326
H 0.846712 -0.328001 0.571613
H -3.215518 0.370440 1.915907
H -2.322705 1.404960 0.783055
H 4.983850 1.598654 -0.408855
H 1.802112 0.735585 -3.082291
H -4.562154 3.026372 1.311317
H -5.197593 1.637419 2.238364
H -4.398343 1.378206 -0.618375
H -1.095207 -3.728484 -1.649229
H -4.570327 -1.310969 -0.488088
H 4.288217 3.825977 -1.585339
H -6.446293 2.821728 -0.324274
H -7.073141 1.404167 0.562939
H -3.634748 -3.380296 -1.658674
H 6.233315 0.692208 2.606544
H 4.805774 0.245531 3.633495
H 4.748759 1.746832 2.649512
H -7.989810 3.848020 1.128918
H -7.434980 2.997581 2.492108


