%chk=000091892.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091892

0 1
 O   -3.668900     -0.3194000      0.3868000    
 N    4.149200      0.2105000     -0.3873000    
 C    2.793500      0.1253000      0.1839000    
 C    1.798200     -8.4500000E-02 -0.9877000    
 C    2.536700       1.436500      0.9392000    
 C    2.790600      -1.051400       1.169100    
 C   0.3336000     -0.1478000     -0.6196000    
 C  -0.2361000      -1.372400     -0.3136000    
 C  -0.4091000       1.020800     -0.5952000    
 C   -1.587700      -1.430300      2.6400000E-02
 C   -1.760600      0.9631000     -0.2550000    
 C   -2.350000     -0.2625000      5.5700000E-02
 C   -4.389600      0.9119000      0.3973000    
 H    1.927700      0.7187000      -1.728400    
 H    2.059100      -1.004300      -1.531400    
 H    1.584500       1.409800       1.479500    
 H    3.316600       1.627400       1.686800    
 H    2.515700       2.295200      0.2582000    
 H    1.838800      -1.123800       1.705900    
 H    3.574200     -0.9401000       1.928700    
 H    2.961900      -2.004200      0.6548000    
 H    4.831100      0.3743000      0.3529000    
 H    4.211500       1.013500      -1.012500    
 H   0.3477000      -2.287900     -0.3354000    
 H   3.9799999E-02   1.979600     -0.8380000    
 H   -2.041300      -2.387900      0.2670000    
 H   -2.293900       1.907600     -0.2522000    
 H   -5.421200      0.6802000      0.6819000    
 H   -4.426900       1.364700     -0.5994000    
 H   -3.996800       1.601600       1.152000    


%chk=000091892-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091892

0 1
O -3.733829 -0.365110 0.406067
N 4.230814 0.112007 -0.414645
C 2.870304 0.141533 0.200553
C 1.866376 -0.043010 -0.992414
C 2.594829 1.474624 0.953247
C 2.790558 -1.044689 1.187443
C 0.390397 -0.092408 -0.631669
C -0.244009 -1.323814 -0.305333
C -0.409376 1.076397 -0.617524
C -1.607484 -1.383738 0.035080
C -1.782268 1.041679 -0.278347
C -2.382368 -0.197250 0.053985
C -4.575819 0.831925 0.432510
H 2.043812 0.792008 -1.702209
H 2.171234 -0.971113 -1.510749
H 1.583117 1.495128 1.397347
H 3.330782 1.610401 1.768707
H 2.684624 2.337595 0.264825
H 1.795112 -1.105284 1.659109
H 3.541511 -0.927606 1.993139
H 2.998528 -1.992869 0.661093
H 4.981710 0.113828 0.287992
H 4.373445 0.865266 -1.100707
H 0.341460 -2.250604 -0.328426
H 0.045796 2.038743 -0.882958
H -2.094733 -2.332069 0.282045
H -2.362841 1.969317 -0.284558
H -5.572533 0.476347 0.732869
H -4.635215 1.306490 -0.566726
H -4.205636 1.570477 1.170657


