%chk=000158684.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158684

0 1
 O   -2.514900       1.586600      -2.433300    
 O    1.847200       3.588100       1.594700    
 O    2.940100      -2.530200     -0.7619000    
 O    4.411000      -1.328100      0.5382000    
 N   -2.141900      -1.148800      6.4499997E-02
 N    2.428400      0.8111000      0.5691000    
 C   -3.103500      -1.886700      0.8692000    
 C   -1.810600      0.6414000      -1.619400    
 C   -2.816500     -0.1560000     -0.7688000    
 C  -0.8169000       1.374800     -0.7754000    
 C   0.4285000      0.8198000     -0.4198000    
 C   -2.344400      -2.907500       1.723400    
 C   -3.847600     -0.8960000       1.770900    
 C   -4.094400      -2.605500     -5.4200001E-02
 C    1.299400       1.573500      0.3698000    
 C   -1.144100       2.660100     -0.3286000    
 C    1.074100     -0.4199000     -0.6869000    
 C   0.9861000       2.859600      0.8233000    
 C    2.301600     -0.3952000     -6.5700002E-02
 C  -0.2550000       3.389400      0.4586000    
 C    3.307200      -1.409900     -4.8799999E-02
 C    3.866300      -3.620400     -0.8186000    
 H   -1.288300     -3.0400001E-02  -2.311200    
 H   -3.519100     -0.6109000      -1.474800    
 H   -3.382000      0.5761000     -0.1829000    
 H   -1.617300      -1.789500     -0.5306000    
 H   -1.619200      -2.415500       2.382400    
 H   -3.029700      -3.481600       2.357500    
 H   -1.795800      -3.622900       1.099300    
 H   -4.595300     -0.2951000       1.242700    
 H   -3.157300     -0.2190000       2.288700    
 H   -4.400200      -1.437400       2.549300    
 H   -3.580700      -3.173100     -0.8393000    
 H   -4.688700      -3.327300      0.5201000    
 H   -4.818600      -1.934500     -0.5279000    
 H   -2.102100       3.114900     -0.5687000    
 H   0.6786000      -1.237000      -1.275700    
 H    3.234700       1.099500       1.105900    
 H  -0.5363000       4.384600      0.7948000    
 H   -3.136900       1.086900      -2.989400    
 H    2.653400       3.067600       1.747900    
 H    4.796700      -3.298400      -1.295300    
 H    3.418900      -4.417200      -1.418400    
 H    4.059900      -4.001500      0.1883000    


%chk=000158684-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158684

0 1
O -2.732155 1.850180 -2.581497
O 1.644072 3.784331 1.654086
O 2.603189 -2.647111 -0.230782
O 3.938258 -1.311457 1.158780
N -2.351331 -1.386030 -0.703997
N 2.124437 0.845477 0.792554
C -2.753227 -2.076184 0.563658
C -1.971532 0.823863 -1.842649
C -2.972422 -0.108150 -1.076334
C -1.005537 1.563744 -0.929645
C 0.183442 0.944582 -0.431474
C -1.942527 -3.394972 0.610177
C -2.366487 -1.196861 1.778916
C -4.278449 -2.395923 0.600040
C 1.066940 1.683254 0.442454
C -1.261673 2.889845 -0.533706
C 0.761495 -0.366541 -0.588771
C 0.806422 3.030674 0.795426
C 1.938674 -0.402421 0.169282
C -0.372090 3.615464 0.311076
C 2.919113 -1.453850 0.424143
C 3.562265 -3.754681 -0.014478
H -1.400090 0.190566 -2.557160
H -3.872060 -0.240454 -1.730788
H -3.314784 0.423370 -0.173072
H -2.328380 -2.048894 -1.490225
H -0.859139 -3.179999 0.601093
H -2.182663 -3.968521 1.523105
H -2.177727 -4.036986 -0.262101
H -2.962487 -0.267407 1.827241
H -1.300324 -0.919098 1.719063
H -2.542002 -1.751257 2.718756
H -4.558881 -3.067839 -0.233829
H -4.559425 -2.891172 1.548264
H -4.877739 -1.470499 0.513862
H -2.151895 3.386524 -0.927291
H 0.343772 -1.197586 -1.148731
H 2.878264 1.012734 1.458344
H -0.584156 4.654575 0.581293
H -3.455508 1.402825 -3.089784
H 2.595521 3.540665 1.531556
H 4.564709 -3.471121 -0.377312
H 3.154095 -4.594082 -0.594625
H 3.624820 -4.005078 1.058082


