%chk=000056496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056496

1 1
 O   0.7315000      0.9569000     -0.3465000    
 N    4.209400     -0.3362000      5.0600000E-02
 N   -3.367100     -0.1977000     -0.3093000    
 N   -4.976300      -1.865400     -0.3487000    
 N   -5.522600      7.4800000E-02  0.7152000    
 C    3.101400      0.5868000     -0.4358000    
 C    3.910800      -1.762500     -0.3882000    
 C    5.538000      0.1097000     -0.5430000    
 C    4.287600     -0.2786000       1.569400    
 C    1.775900      0.1204000      0.1330000    
 C  -0.5333000      0.5559000      0.1624000    
 C   -1.602900       1.490800     -0.3891000    
 C   -2.998400       1.153200      0.1162000    
 C   -4.553900     -0.6082000      1.3900000E-02
 H    3.336500       1.609900     -0.1187000    
 H    3.092400      0.5678000      -1.532300    
 H    3.659800      -1.759200      -1.453000    
 H    4.812500      -2.361300     -0.2218000    
 H    3.102800      -2.184500      0.2143000    
 H    5.732300       1.137000     -0.2205000    
 H    6.325600     -0.5583000     -0.1821000    
 H    5.463700      5.7100002E-02  -1.633200    
 H    4.330100      0.7694000       1.880100    
 H    3.430900     -0.7915000       2.013000    
 H    5.201500     -0.7960000       1.879500    
 H    1.533600     -0.8996000     -0.1759000    
 H    1.762300      0.1770000       1.225000    
 H  -0.5225000      0.6067000       1.257600    
 H  -0.7341000     -0.4778000     -0.1414000    
 H   -1.354200       2.524800     -0.1200000    
 H   -1.580400       1.452900      -1.485700    
 H   -3.015800       1.229300       1.210300    
 H   -3.700900       1.888000     -0.2953000    
 H   -4.372200      -2.490300     -0.8714000    
 H   -5.900300      -2.205300     -0.1055000    
 H   -6.422700     -0.3497000      0.9113000    
 H   -5.377300       1.016400       1.061500    


%chk=000056496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056496

1 1
O 0.718579 0.849403 -0.078029
N 4.279115 -0.385073 0.013992
N -3.385491 -0.196827 -0.032978
N -4.970556 -1.886207 -0.408870
N -5.757704 0.210848 0.284558
C 2.990423 0.422205 -0.265900
C 4.125904 -1.830851 -0.457531
C 5.420008 0.271059 -0.767192
C 4.621079 -0.363197 1.503040
C 1.718057 -0.057558 0.454619
C -0.647286 0.592317 0.462965
C -1.619780 1.500341 -0.284819
C -3.073378 1.231763 0.169444
C -4.646561 -0.578899 -0.035621
H 3.194884 1.467920 0.019577
H 2.815263 0.385654 -1.354517
H 3.824958 -1.830519 -1.516122
H 5.090961 -2.347593 -0.340807
H 3.359578 -2.335911 0.146813
H 5.536340 1.311066 -0.426835
H 6.350619 -0.288830 -0.587604
H 5.174646 0.256856 -1.839864
H 4.671205 0.682286 1.843254
H 3.845679 -0.901282 2.066119
H 5.595518 -0.853207 1.652538
H 1.464759 -1.113440 0.210814
H 1.799757 0.039023 1.560305
H -0.645529 0.807142 1.553636
H -0.931364 -0.465039 0.297230
H -1.358570 2.561670 -0.113193
H -1.538429 1.294595 -1.367329
H -3.170528 1.521614 1.243162
H -3.745896 1.909541 -0.407789
H -4.197268 -2.462644 -0.731867
H -5.791095 -2.348046 -0.022501
H -6.689110 -0.038055 -0.040578
H -5.625088 1.130576 0.693780


