%chk=000121898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121898

0 1
 O   -7.678700      -1.154500     -0.1378000    
 O   -4.381500      0.9208000      -1.503000    
 O    2.040300       1.589800      -1.044600    
 O   -1.911800       1.863300       1.592200    
 O    9.157900     -0.3506000      0.5982000    
 O    8.867500      0.9125000      -1.173600    
 N   -6.852200      0.9437000     -0.7678000    
 N   -3.788100       2.776700     -0.2261000    
 N  -0.4772000       1.430800     -0.1855000    
 N    2.859200      0.2553000      0.7031000    
 N   -1.539300      -3.152900     -0.2113000    
 N   -1.345700      -5.536600     -0.4364000    
 N   -3.231000      -4.599000      0.4363000    
 N    8.412300      0.2788000     -0.1908000    
 C   -6.056700       1.986300     -0.1839000    
 C   -6.143100       1.715400       1.306100    
 C   -6.387100      0.2095000       1.402400    
 C   -7.074700     -0.1199000      0.1002000    
 C   0.4827000      0.6281000      0.5279000    
 C   -4.671500       1.823900     -0.7228000    
 C   0.1005000     -0.8570000      0.5247000    
 C   0.1283000      -1.507900     -0.8634000    
 C   -2.397900       2.824300     -0.5704000    
 C    1.874300      0.8845000     -5.3300001E-02
 C   -1.604100       1.986700      0.4093000    
 C  -0.2009000      -2.994400     -0.7821000    
 C    4.256500      0.2629000      0.4793000    
 C    5.104800     -0.4299000       1.343100    
 C    4.785200      0.9607000     -0.6065000    
 C   -1.982700      -4.365500     -9.0899996E-02
 C    6.481800     -0.4248000       1.121000    
 C    6.162300      0.9659000     -0.8286000    
 C    7.010600      0.2732000      3.5200000E-02
 H   -6.460000       2.963200     -0.4663000    
 H   -5.267200       2.021800       1.885200    
 H   -7.013200       2.240500       1.720800    
 H   -5.445000     -0.3454000       1.453100    
 H   -7.020000     -4.5800000E-02   2.255700    
 H   -7.185800      0.9574000      -1.726700    
 H   0.4973000      0.9769000       1.568800    
 H  -0.9043000     -0.9533000      0.9553000    
 H   0.7708000      -1.415300       1.189300    
 H    1.117700      -1.394300      -1.319900    
 H  -0.5941000      -1.008900      -1.520500    
 H   -4.136000       3.481200      0.4180000    
 H  -0.3163000       1.588800      -1.176300    
 H   -2.265400       2.465100      -1.595800    
 H   -2.058500       3.862000     -0.5039000    
 H  -0.1620000      -3.416400      -1.793400    
 H   0.5479000      -3.501100     -0.1612000    
 H    2.563700     -0.2665000       1.524800    
 H    4.705300     -0.9782000       2.192400    
 H    4.194000       1.517600      -1.319500    
 H    7.112200     -0.9757000       1.814400    
 H    6.539900       1.519600      -1.684600    
 H   -1.793000      -6.436000     -0.2952000    
 H  -0.4155000      -5.547900     -0.8392000    
 H   -3.595600      -5.539600      0.5398000    
 H   -3.823300      -3.833100      0.7387000    


%chk=000121898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121898

0 1
O -5.992478 -2.158334 -0.875656
O -4.015989 1.452263 -1.948815
O 1.903419 1.573589 -1.197785
O -1.918936 2.460187 1.641071
O 8.975274 -0.866468 0.593847
O 8.749691 0.075474 -1.473435
N -6.229796 0.183311 -0.825784
N -3.911324 3.055448 -0.257326
N -0.536019 1.958352 -0.155952
N 2.740399 0.554085 0.748167
N -2.150349 -2.707317 -0.028869
N -1.948238 -5.122993 -0.010372
N -4.058238 -4.115314 -0.023592
N 8.272471 -0.299881 -0.332616
C -5.686519 1.345455 -0.117428
C -5.255004 0.726556 1.263522
C -4.976873 -0.761447 0.939040
C -5.781604 -1.031760 -0.333382
C 0.341997 1.097637 0.642722
C -4.473481 1.947107 -0.878652
C -0.217880 -0.356701 0.789957
C -0.253348 -1.164416 -0.522952
C -2.513227 3.412669 -0.538222
C 1.728419 1.112189 -0.031760
C -1.618353 2.578705 0.406725
C -0.697663 -2.627065 -0.306516
C 4.107798 0.364842 0.427386
C 4.930585 -0.249459 1.414932
C 4.672246 0.762191 -0.818024
C -2.685233 -3.920423 -0.016587
C 6.293839 -0.469530 1.172111
C 6.038953 0.541857 -1.061196
C 6.837205 -0.070067 -0.069952
H -6.453381 2.131512 0.019866
H -4.380286 1.237858 1.698889
H -6.097295 0.813769 1.972096
H -3.913843 -0.986990 0.712342
H -5.284892 -1.450046 1.742590
H -6.589337 0.250535 -1.779557
H 0.403513 1.540224 1.657649
H -1.234434 -0.286799 1.216069
H 0.397405 -0.899323 1.540007
H 0.755091 -1.169897 -0.986317
H -0.949324 -0.694170 -1.242026
H -4.239831 3.298507 0.681667
H -0.283589 2.081773 -1.142343
H -2.310152 3.202816 -1.600649
H -2.353860 4.487116 -0.340531
H -0.425955 -3.210334 -1.218432
H -0.081942 -3.047016 0.530673
H 2.453826 0.221715 1.673195
H 4.497696 -0.554555 2.375396
H 4.037851 1.234168 -1.569150
H 6.941380 -0.939521 1.916327
H 6.496566 0.837365 -2.008933
H -2.364179 -5.986107 -0.351913
H -0.944025 -5.100475 0.136255
H -4.447537 -4.985400 0.331048
H -4.707611 -3.370769 -0.324825


