%chk=000057129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057129

0 1
 O    4.576100      -1.457900     -0.5718000    
 O    2.023800       1.972600      0.7720000    
 N  -0.1098000       1.308700     -0.8169000    
 N    1.071100      0.5812000     -0.8042000    
 N    3.320700     -0.9030000     -0.7890000    
 C   -2.566800       1.203800     -0.5279000    
 C   -1.232000      0.4489000     -0.4563000    
 C   -3.720100      0.3429000     -0.1360000    
 C   -4.393000     -0.4043000      -1.102700    
 C   -4.125900      0.2852000       1.197300    
 C   -5.471900      -1.209100     -0.7362000    
 C   -5.204600     -0.5197000       1.563900    
 C    2.099600      0.9913000      3.2900002E-02
 C    3.304700      0.1491000      5.1000002E-03
 C   -5.877600      -1.266700      0.5970000    
 C    4.460700      0.3407000      0.7408000    
 C    5.245500     -0.7084000      0.3410000    
 C    6.599400      -1.155500      0.6909000    
 H   -2.724200       1.591700      -1.543200    
 H   -2.530800       2.088700      0.1217000    
 H   -1.086000      6.4599998E-02  0.5617000    
 H   -1.271900     -0.4203000      -1.126500    
 H  -0.2352000       1.653900      -1.767900    
 H   -4.085400     -0.3696000      -2.144500    
 H   -3.608800      0.8610000       1.960300    
 H    1.151100     -0.2264000      -1.414800    
 H   -5.995400      -1.791300      -1.488800    
 H   -5.520300     -0.5652000       2.602100    
 H   -6.717300      -1.893500      0.8825000    
 H    4.710000       1.111000       1.455400    
 H    7.056300     -0.4907000       1.430500    
 H    6.574400      -2.165000       1.112600    
 H    7.241400      -1.168500     -0.1953000    


%chk=000057129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057129

0 1
O 4.758497 -1.461046 -0.640028
O 2.010032 1.949379 0.864951
N -0.138189 1.215183 -0.919369
N 1.120629 0.589356 -0.856946
N 3.425851 -0.906789 -0.881724
C -2.586732 1.195758 -0.574584
C -1.284273 0.357318 -0.541352
C -3.793205 0.369090 -0.155752
C -4.554225 -0.349421 -1.113384
C -4.155815 0.266713 1.212229
C -5.648141 -1.151734 -0.716530
C -5.248488 -0.533970 1.614118
C 2.093170 0.989083 0.052844
C 3.334994 0.136577 -0.020788
C -5.998308 -1.247557 0.650135
C 4.520076 0.305783 0.772088
C 5.383740 -0.697182 0.367486
C 6.764027 -1.116904 0.753335
H -2.736127 1.592022 -1.599498
H -2.446101 2.062680 0.095869
H -1.107309 -0.013931 0.483514
H -1.400088 -0.534235 -1.204363
H -0.265778 1.727510 -1.802546
H -4.292908 -0.273644 -2.176704
H -3.581361 0.822593 1.963869
H 1.327749 -0.242473 -1.432680
H -6.228003 -1.696804 -1.470123
H -5.517532 -0.597774 2.674608
H -6.847711 -1.866731 0.959782
H 4.673384 1.072799 1.525238
H 7.153089 -0.455763 1.543526
H 6.772914 -2.155439 1.129891
H 7.449942 -1.070250 -0.111412


