%chk=000017325.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017325

0 1
 O   -1.658000     -0.6380000      0.5315000    
 O   -1.555400       1.094600      -1.000300    
 N    2.381400      -1.099300      1.0200000E-02
 N   0.4842000      0.2421000      0.6494000    
 N   -3.588700      0.5338000     -2.0199999E-02
 C    2.711200       1.166900      0.7759000    
 C    2.948000       2.079000     -0.4362000    
 C    1.800300      2.9999999E-02  0.4580000    
 C    3.850000       3.254700     -9.5700003E-02
 C    1.528300      -2.107100     -0.2676000    
 C  -0.2820000     -0.8103000      0.3482000    
 C   0.1599000      -2.017200     -0.1148000    
 C    2.130500      -3.377500     -0.7666000    
 C   -2.212600      0.3937000     -0.2316000    
 C   -4.337500       1.560000     -0.7314000    
 C   -4.359700     -0.3055000      0.8913000    
 H    2.285000       1.751400       1.600700    
 H    3.670200      0.7748000       1.136400    
 H    3.398700       1.502700      -1.253400    
 H    1.989100       2.459100     -0.8095000    
 H    3.407400       3.872400      0.6922000    
 H    4.830200       2.909300      0.2478000    
 H    4.000900       3.884900     -0.9777000    
 H  -0.5092000      -2.836300     -0.3430000    
 H    3.220400      -3.296300     -0.8347000    
 H    1.895500      -4.203000     -8.7200001E-02
 H    1.747000      -3.614600      -1.764100    
 H   -5.115000       1.077100      -1.330400    
 H   -3.693300       2.146300      -1.391400    
 H   -4.800400       2.228800     -9.9999997E-05
 H   -5.139400     -0.8167000      0.3191000    
 H   -4.823700      0.3352000       1.646900    
 H   -3.744800      -1.053900       1.394300    


%chk=000017325-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017325

0 1
O -1.733613 -0.854189 -0.159956
O -1.760906 0.990636 -1.650215
N 2.395061 -1.267220 0.122596
N 0.385000 0.086250 0.310983
N -3.479204 0.672265 -0.076866
C 2.566392 1.104817 0.795435
C 2.709041 2.111047 -0.383091
C 1.741957 -0.094895 0.398627
C 3.506306 3.367009 0.024564
C 1.634869 -2.340573 -0.278390
C -0.336403 -0.977249 -0.104845
C 0.228984 -2.230585 -0.413843
C 2.362976 -3.630505 -0.578816
C -2.289192 0.378047 -0.697742
C -4.271125 1.805714 -0.583999
C -4.029685 -0.058294 1.075203
H 2.072022 1.618447 1.641113
H 3.563161 0.758907 1.119027
H 3.210553 1.604373 -1.230572
H 1.697199 2.394233 -0.729858
H 3.006236 3.902168 0.853829
H 4.526571 3.102009 0.360569
H 3.600927 4.069860 -0.823270
H -0.393418 -3.063130 -0.748174
H 3.441175 -3.494242 -0.405659
H 1.997732 -4.454002 0.062210
H 2.207005 -3.938476 -1.629267
H -5.272123 1.462396 -0.907776
H -3.745965 2.255570 -1.439373
H -4.396846 2.570396 0.205816
H -5.000903 -0.519545 0.810506
H -4.191630 0.637203 1.921076
H -3.333654 -0.847341 1.386153


