%chk=000128557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128557

0 1
 O    2.012300     -0.5178000     -0.9503000    
 O    1.158800       2.240400       1.190800    
 O    3.345400       2.173100     -0.4214000    
 O    3.859300      -2.553600     -0.3966000    
 N  -0.2027000     -0.3174000     -0.1234000    
 N   -1.733400       1.496800     -0.5389000    
 N   -4.755500      -1.359500      0.4029000    
 C    1.048500      0.3908000     -0.3841000    
 C    1.699300      0.9776000      0.8592000    
 C    3.152900       1.046900      0.4345000    
 C    3.312800     -0.2283000     -0.3871000    
 C    3.750000      -1.422500      0.4496000    
 C   -1.463200      0.2209000     -0.2039000    
 C  -0.2967000      -1.637800      0.2441000    
 C   -2.379900     -0.7758000      0.1179000    
 C   -1.630400      -1.948200      0.4002000    
 C   -3.741400     -0.4328000      9.5600002E-02
 C   -4.077400      0.8762000     -0.2454000    
 C   -3.058600       1.771000     -0.5437000    
 H   0.8325000       1.153800      -1.141900    
 H    1.587200      0.3106000       1.721800    
 H    3.857300       1.133300       1.266800    
 H    3.997600     -9.1899998E-02  -1.231700    
 H    3.026400      -1.663000       1.234600    
 H    4.724700      -1.243300      0.9127000    
 H   0.5843000      -2.251700      0.3725000    
 H    1.186100       2.802500      0.3982000    
 H    3.264800       2.970900      0.1286000    
 H   -2.016200      -2.916600      0.6882000    
 H    2.988600      -2.699900     -0.8044000    
 H   -5.112800       1.201200     -0.2794000    
 H   -3.302400       2.795900     -0.8112000    
 H   -5.680500      -1.206700      2.0800000E-02
 H   -4.491700      -2.305900      0.6466000    


%chk=000128557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128557

0 1
O 2.166433 -0.973433 -0.633991
O 0.998275 2.422374 0.135464
O 3.370717 2.030769 -0.971589
O 4.149485 -2.533349 0.584349
N -0.170467 -0.591220 -0.371004
N -1.442066 1.464655 0.076326
N -4.815594 -1.172902 0.373335
C 1.121834 0.048970 -0.667029
C 1.550563 1.114019 0.383609
C 3.084820 1.154282 0.159925
C 3.454967 -0.296252 -0.205111
C 4.011462 -1.125978 0.958206
C -1.345832 0.109992 -0.091253
C -0.481789 -1.955423 -0.488193
C -2.416118 -0.838490 -0.012819
C -1.846042 -2.143179 -0.264992
C -3.721802 -0.332253 0.273450
C -3.836750 1.078854 0.447258
C -2.703581 1.915396 0.342227
H 1.080367 0.521957 -1.670807
H 1.311691 0.731341 1.398280
H 3.617737 1.505239 1.066526
H 4.135195 -0.315533 -1.073470
H 3.356821 -1.014684 1.850385
H 5.029018 -0.784992 1.214530
H 0.302803 -2.670839 -0.717668
H -0.039977 2.276016 0.094426
H 2.659902 2.735423 -0.936170
H -2.350840 -3.108083 -0.281459
H 3.285971 -2.813033 0.182803
H -4.808819 1.532234 0.666624
H -2.805952 2.996171 0.480148
H -5.740837 -0.802959 0.573157
H -4.715597 -2.175891 0.246730


