%chk=000086251.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086251

0 1
 O   -4.921700     -0.7712000     -0.5857000    
 N   -1.396900      0.3100000     -0.3151000    
 N    1.451400      0.1051000     -0.2467000    
 N   -5.127800      0.4581000       1.326000    
 N   -6.906500      0.3128000     -0.2669000    
 C  -0.7500000      -1.001300     -0.1816000    
 C  -0.5680000       1.193500      -1.144100    
 C   0.6256000     -0.8703000      0.4762000    
 C   0.8145000       1.397200     -0.5192000    
 C   -2.732100      0.1666000     -0.8943000    
 C   -3.608000     -0.7383000     -3.9600000E-02
 C    2.840100      3.5300002E-02 -8.9900002E-02
 C   -3.820800     -0.2093000       1.364700    
 C    3.553800      -1.125300     -0.4506000    
 C    3.567200       1.123500      0.4328000    
 C   -5.664600      4.0600002E-02  0.2217000    
 C    4.938100      -1.194900     -0.2945000    
 C    4.951600       1.053800      0.5888000    
 C    5.637000     -0.1055000      0.2251000    
 C    7.117000     -0.1802000      0.3929000    
 H  -0.6477000      -1.489000      -1.160300    
 H   -1.311500      -1.676000      0.4701000    
 H   -1.047000       2.175200      -1.242500    
 H  -0.4553000      0.7821000      -2.156400    
 H   0.5172000     -0.5471000       1.519700    
 H    1.092900      -1.861800      0.4919000    
 H    1.420100       1.988000      -1.217700    
 H   0.7172000       1.968700      0.4127000    
 H   -3.207300       1.152700     -0.9832000    
 H   -2.688700     -0.2343000      -1.916400    
 H   -3.255100      -1.772800     -2.7100001E-02
 H   -3.872800      -1.035700       2.083500    
 H   -3.042800      0.4773000       1.710100    
 H    3.031600      -1.982800     -0.8693000    
 H    3.065800       2.038100      0.7392000    
 H    5.461000      -2.103100     -0.5822000    
 H    5.484800       1.907300      0.9991000    
 H   -7.220500     -7.0100002E-02  -1.152000    
 H   -7.553600      0.9075000      0.2390000    
 H    7.363200     -0.5713000       1.385100    
 H    7.568100     -0.8318000     -0.3631000    
 H    7.577800      0.8071000      0.2805000    


%chk=000086251-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086251

0 1
O -5.080078 -0.795492 -0.517526
N -1.394203 0.054138 -0.320781
N 1.504585 -0.004406 -0.262333
N -5.376574 0.798434 1.186574
N -7.125166 0.343573 -0.412779
C -0.654707 -1.221869 -0.483292
C -0.593436 1.166201 -0.886940
C 0.702022 -1.146266 0.234719
C 0.773424 1.274902 -0.186976
C -2.775267 -0.000322 -0.853173
C -3.734051 -0.677903 0.145882
C 2.914312 -0.010093 -0.076158
C -4.027865 0.187816 1.415526
C 3.672359 -1.205376 -0.269432
C 3.637622 1.170651 0.262803
C -5.881355 0.185132 0.147390
C 5.071870 -1.209314 -0.130930
C 5.044963 1.151137 0.385345
C 5.796711 -0.032112 0.196192
C 7.309918 -0.051375 0.330986
H -0.485790 -1.453661 -1.565624
H -1.243658 -2.048222 -0.045845
H -1.144888 2.113136 -0.740954
H -0.422305 1.029381 -1.984866
H 0.520304 -1.043104 1.329680
H 1.246897 -2.088780 0.071385
H 1.359559 2.056365 -0.701039
H 0.617410 1.594140 0.870473
H -3.131540 1.034478 -1.016792
H -2.834319 -0.529994 -1.834468
H -3.417121 -1.706410 0.383953
H -4.046852 -0.423490 2.337415
H -3.255107 0.966000 1.539799
H 3.170822 -2.134250 -0.559991
H 3.110252 2.109440 0.455752
H 5.616921 -2.148098 -0.294672
H 5.564863 2.081141 0.648245
H -7.367425 -0.155602 -1.262307
H -7.786147 0.974679 0.028302
H 7.641317 -0.776976 1.098194
H 7.798689 -0.339663 -0.619657
H 7.700335 0.940436 0.618619


