%chk=000101638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101638

0 1
 O   0.6913000      0.4953000       1.456400    
 O   0.7459000      -2.357000     -0.5939000    
 O  -0.8774000      -3.457200      0.5305000    
 N  -0.4434000     -3.3900000E-02 -0.4952000    
 N   0.3710000       2.964800     -0.4876000    
 N   -3.332300       1.083000     -0.3585000    
 N    4.425600      0.6143000      0.9222000    
 N   -5.361700      0.8739000      0.5189000    
 N    4.540600      -1.070200     -0.5204000    
 C   -1.225200      -1.108300      6.8000004E-02
 C    1.192300       1.755000     -0.5517000    
 C   -2.566900      -1.267700     -0.6601000    
 C    2.584300       2.036800      3.4100000E-02
 C   0.4654000      0.6894000      0.2630000    
 C   -3.582300     -0.2325000     -0.2348000    
 C    3.486000      0.8238000     -1.5799999E-02
 C  -0.4544000      -2.419900      3.0999999E-02
 C   -4.813400     -0.3646000      0.2980000    
 C    3.551400     -0.1954000     -0.8944000    
 C   -4.444300       1.723500      0.1133000    
 C    5.047500     -0.5532000      0.5767000    
 H   -1.387500     -0.8875000       1.131200    
 H    1.276400       1.439800      -1.597800    
 H   -2.993400      -2.258600     -0.4568000    
 H   -2.429800      -1.209800      -1.747800    
 H    3.068200       2.842700     -0.5332000    
 H    2.502600       2.383300       1.073400    
 H  -0.5170000      0.1480000      -1.492100    
 H   0.2605000       3.264500      0.4802000    
 H  -0.5639000       2.769300     -0.8427000    
 H   -2.498000       1.521700     -0.7259000    
 H    4.639600       1.193500       1.724000    
 H   -5.353500      -1.267700      0.5422000    
 H    2.960000     -0.3732000      -1.780600    
 H   -4.521100       2.801300      0.1329000    
 H    5.855100     -0.9688000       1.162300    
 H    1.207800      -3.222400     -0.5901000    


%chk=000101638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101638

0 1
O 0.302424 1.447511 1.567759
O 0.786869 -2.140018 -1.048552
O 0.686755 -2.683047 1.222064
N -0.281266 0.282469 -0.381848
N 0.839514 3.698014 -0.327967
N -3.293110 0.840241 -0.271177
N 3.240244 -0.103340 0.955129
N -5.417376 0.309009 0.284338
N 3.506452 -1.588464 -0.716637
C -0.807627 -0.932317 0.292105
C 1.192045 2.291528 -0.564288
C -2.120440 -1.438321 -0.373624
C 2.713872 2.087706 -0.240852
C 0.367099 1.305133 0.307727
C -3.315233 -0.557894 -0.131644
C 3.127845 0.641351 -0.234521
C 0.283012 -2.020924 0.243490
C -4.638905 -0.858968 0.208026
C 3.315813 -0.297571 -1.253347
C -4.572797 1.317575 -0.005297
C 3.471123 -1.426952 0.626612
H -0.978234 -0.678600 1.351091
H 1.031940 2.069684 -1.636998
H -2.349636 -2.440956 0.030013
H -1.926111 -1.577256 -1.456794
H 3.284559 2.668524 -0.984516
H 2.906603 2.545615 0.747832
H -0.008063 0.130846 -1.359541
H 0.837389 3.938733 0.670424
H -0.012689 4.013800 -0.801140
H -2.450773 1.379133 -0.473688
H 3.085943 0.267544 1.893609
H -5.075203 -1.836523 0.402950
H 3.312843 -0.135669 -2.328892
H -4.834035 2.372853 -0.026738
H 3.558437 -2.223292 1.360004
H 1.736718 -2.491157 -1.066214


