%chk=000111419.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111419

0 1
 O  -0.6340000      -2.326300      0.2539000    
 N   -6.474400     -0.3307000     -0.2713000    
 N   -4.347900       2.123700      0.7738000    
 C    3.501800      9.2500001E-02 -0.6292000    
 C    2.734200      -1.245300     -0.7761000    
 C    2.666100       1.219300      1.8500000E-02
 C    4.836800     -0.1283000      0.1209000    
 C    2.286100      -1.890900      0.5405000    
 C    1.354700       1.514500     -0.7197000    
 C    5.758600       1.092400      0.2302000    
 C    1.593500      -3.241000      0.3406000    
 C   0.5227000       2.617400     -5.6800000E-02
 C  -0.7961000       2.897200     -0.7784000    
 C   0.2911000      -3.150000     -0.4454000    
 C    7.085600      0.8009000      0.9122000    
 C   -1.590600       3.988700     -7.7699997E-02
 C   -1.864900      -2.214700     -0.4469000    
 C   -2.828100      -1.326200      0.3324000    
 C   -4.183600      -1.181000     -0.3765000    
 C   -5.191300     -0.3472000      0.4333000    
 C   -4.720100       1.035000      0.6218000    
 H    3.755800      0.4214000      -1.646600    
 H    3.383700      -1.955200      -1.305800    
 H    1.877000      -1.089900      -1.437800    
 H    3.247500       2.147900      3.0300001E-02
 H    2.452300      0.9727000       1.065200    
 H    4.633400     -0.4745000       1.141000    
 H    5.389500     -0.9351000     -0.3777000    
 H    1.617600      -1.214600       1.084200    
 H    3.153300      -2.063600       1.186300    
 H   0.7340000      0.6130000     -0.7575000    
 H    1.576200       1.797300      -1.755800    
 H    5.954200       1.488100     -0.7733000    
 H    5.263000       1.886700      0.7980000    
 H    2.275500      -3.935200     -0.1638000    
 H    1.379200      -3.657900       1.332400    
 H   0.3122000       2.330700      0.9812000    
 H    1.116700       3.538800     -1.6600000E-02
 H  -0.5965000       3.200900      -1.812400    
 H   -1.397800       1.981900     -0.8188000    
 H  -0.1314000      -4.157400     -0.5418000    
 H   0.4603000      -2.760400      -1.454400    
 H    7.648100      4.0300000E-02  0.3615000    
 H    6.928300      0.4393000       1.933200    
 H    7.696300       1.707600      0.9612000    
 H   -1.029400       4.928400     -5.8100000E-02
 H   -2.533100       4.169300     -0.6036000    
 H   -1.820600       3.707300      0.9546000    
 H   -2.301900      -3.211900     -0.5761000    
 H   -1.682200      -1.781200      -1.437400    
 H   -2.972300      -1.746300       1.335700    
 H   -2.358400     -0.3466000      0.4815000    
 H   -4.596800      -2.183400     -0.5503000    
 H   -4.021600     -0.7280000      -1.364200    
 H   -5.340600     -0.8168000       1.412700    
 H   -6.801300      -1.286100     -0.4110000    
 H   -7.178200      0.1259000      0.3084000    


%chk=000111419-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111419

0 1
O -0.639122 -2.432393 0.417755
N -6.529579 -0.396300 0.001829
N -4.204744 2.168781 0.176982
C 3.476413 0.067982 -0.540105
C 2.746655 -1.305316 -0.634252
C 2.577277 1.194238 0.043379
C 4.821229 -0.053711 0.232520
C 2.267226 -1.890294 0.715763
C 1.266264 1.445280 -0.737322
C 5.801590 1.121067 0.004065
C 1.627928 -3.295323 0.594455
C 0.516246 2.714248 -0.270305
C -0.794471 2.972720 -1.047121
C 0.331609 -3.331632 -0.225611
C 7.157509 0.910362 0.713226
C -1.526252 4.253836 -0.594508
C -1.929320 -2.407103 -0.272648
C -2.817446 -1.390015 0.452768
C -4.241299 -1.343184 -0.139431
C -5.165833 -0.300981 0.553742
C -4.645526 1.073316 0.338630
H 3.728117 0.360822 -1.585160
H 3.434963 -2.032846 -1.116042
H 1.879254 -1.200486 -1.314785
H 3.157807 2.139122 0.059310
H 2.336100 0.966075 1.102140
H 4.621639 -0.148614 1.320149
H 5.326656 -0.994258 -0.074421
H 1.526822 -1.212471 1.178910
H 3.124493 -1.959300 1.413798
H 0.590721 0.571263 -0.635519
H 1.498214 1.539266 -1.820000
H 5.969476 1.245253 -1.085780
H 5.348149 2.067135 0.358935
H 2.347730 -3.998113 0.125773
H 1.405232 -3.685883 1.606523
H 0.287181 2.630589 0.812956
H 1.185358 3.594374 -0.378081
H -0.565949 3.035169 -2.131587
H -1.474566 2.106044 -0.919716
H -0.079076 -4.366329 -0.254880
H 0.504538 -3.004074 -1.274813
H 7.653975 -0.010058 0.351238
H 7.021056 0.808170 1.806684
H 7.844956 1.758145 0.536198
H -0.889614 5.147280 -0.743232
H -2.466884 4.397446 -1.154536
H -1.792674 4.195480 0.476712
H -2.392756 -3.421464 -0.254053
H -1.791269 -2.116317 -1.339546
H -2.854031 -1.661647 1.525615
H -2.338072 -0.394837 0.387929
H -4.725854 -2.335540 -0.026497
H -4.218175 -1.113534 -1.220685
H -5.108056 -0.483460 1.656672
H -6.905484 -1.347554 -0.011335
H -7.194131 0.302976 0.341810


