%chk=000131659.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131659

0 1
 O    5.055300      -1.115200     -0.1696000    
 N   -1.366600       3.072800      0.2019000    
 N   -1.440600      -1.614300     -0.4045000    
 N   -3.405800     -0.4385000     -0.3027000    
 N  -0.8142000      -6.372500      0.5591000    
 C  -2.0400001E-02   1.292400      7.4000000E-03
 C   -1.399200      0.8631000     -8.3400004E-02
 C   -2.201700       1.998400      4.2399999E-02
 C  -5.1300000E-02   2.679300      0.1849000    
 C    1.266000      0.6526000     -4.1700002E-02
 C   -2.052500     -0.3659000     -0.2585000    
 C    2.437800       1.449000      9.0499997E-02
 C   -3.592700       1.956600      1.5000000E-03
 C    1.095300       3.466200      0.3150000    
 C    2.334200       2.831200      0.2652000    
 C    1.417400     -0.7403000     -0.2164000    
 C   -2.119600      -2.858500     -0.1681000    
 C   -4.127400      0.6942000     -0.1749000    
 C    3.700400      0.8370000      4.4599999E-02
 C   -4.469500       3.151300      0.1342000    
 C   -1.121600      -3.990400      6.6399999E-02
 C    2.683800      -1.326800     -0.2591000    
 C    3.822300     -0.5406000     -0.1289000    
 C   -1.809600      -5.332300      0.3245000    
 C    6.180400     -0.2489000     -2.9600000E-02
 H   -1.670200       4.029500      0.3173000    
 H    1.029000       4.541000      0.4513000    
 H    3.228500       3.444200      0.3668000    
 H  -0.8011000      -1.628400      -1.194500    
 H   0.6347000      -1.454900     -0.1836000    
 H   -2.762300      -2.779900      0.7179000    
 H   -2.762400      -3.098600      -1.023200    
 H   -5.202900      0.5470000     -0.2211000    
 H    4.563200       1.488600      0.1506000    
 H   -3.900700       4.078100      0.2506000    
 H   -5.098000       3.258300     -0.7561000    
 H   -5.117700       3.046900       1.010500    
 H  -0.4789000      -3.734300      0.9193000    
 H  -0.4595000      -4.075200     -0.8056000    
 H    2.773200      -2.405100     -0.3640000    
 H   -2.431400      -5.609100     -0.5338000    
 H   -2.462100      -5.257700       1.200700    
 H  -0.2181000      -6.468800     -0.2621000    
 H   -1.284400      -7.269000      0.6775000    
 H    6.193900      0.2389000      0.9510000    
 H    6.241000      0.4697000     -0.8540000    
 H    7.077600     -0.8742000     -8.6199999E-02


%chk=000131659-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131659

0 1
O 5.183700 -1.059511 0.398381
N -1.424839 3.112872 -0.135252
N -1.448896 -1.647222 -0.020282
N -3.449199 -0.491512 0.352460
N -0.958631 -6.572577 -0.250385
C -0.014139 1.296904 0.034048
C -1.400636 0.832261 0.135036
C -2.238516 1.998602 0.073420
C -0.082732 2.709704 -0.185712
C 1.294395 0.691293 0.151708
C -2.094920 -0.432205 0.170054
C 2.458688 1.510086 -0.143186
C -3.649871 1.962285 0.225597
C 1.054390 3.521842 -0.434624
C 2.306464 2.908970 -0.447333
C 1.533098 -0.647647 0.613643
C -2.184224 -2.922792 -0.055800
C -4.173435 0.668640 0.409661
C 3.772839 0.937697 -0.081490
C -4.508211 3.208748 0.196517
C -1.200552 -4.106778 -0.114244
C 2.818386 -1.182216 0.686416
C 3.949263 -0.395108 0.306798
C -1.931167 -5.462996 -0.189058
C 6.381545 -0.295193 0.048529
H -1.755922 4.069317 -0.235506
H 0.949065 4.595975 -0.622232
H 3.204419 3.501136 -0.658085
H -0.526311 -1.630109 -0.455516
H 0.697264 -1.243836 0.989398
H -2.819230 -2.982468 0.846032
H -2.879765 -2.948895 -0.922106
H -5.249471 0.538083 0.582358
H 4.626857 1.578412 -0.324198
H -4.215353 3.933909 0.982210
H -4.449064 3.732341 -0.779024
H -5.568578 2.953217 0.365326
H -0.544441 -4.109037 0.776013
H -0.541954 -4.002557 -1.004682
H 2.992818 -2.198990 1.051417
H -2.646958 -5.437295 -1.048258
H -2.539031 -5.592967 0.726957
H -0.348976 -6.544407 -1.074310
H -1.364451 -7.502153 -0.107785
H 6.514154 0.575212 0.720947
H 6.343618 0.052895 -1.002581
H 7.220112 -0.995029 0.178222


