%chk=000155511.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155511

0 1
 O   -1.871900      3.8100000E-02 -0.3115000    
 O   -2.678000       1.445400       1.322100    
 N    2.434900     -0.4838000      0.5689000    
 C    1.902900     -2.3000000E-02 -0.7342000    
 C   0.4018000     -0.3901000     -0.9071000    
 C    2.130400       1.490700     -0.9199000    
 C   0.2129000      -1.902800     -0.7176000    
 C    2.266600      -1.938400      0.7335000    
 C    3.860400     -0.1443000      0.7258000    
 C   0.8093000      -2.374400      0.6027000    
 C    3.599800       1.861200     -0.7624000    
 C    4.118900       1.352900      0.5745000    
 C  -0.5436000      0.3875000      1.9800000E-02
 C   -2.860400      0.6408000      0.4194000    
 C   -4.198700      0.1759000     -4.0500000E-02
 C   -4.312100     -0.8152000      -1.158000    
 C   -5.273100      0.6796000      0.5843000    
 H    2.456700     -0.5364000      -1.535000    
 H   0.1086000     -0.1618000      -1.941500    
 H    1.566300       2.067500     -0.1786000    
 H    1.779200       1.803700      -1.910100    
 H   0.7161000      -2.427600      -1.540400    
 H  -0.8428000      -2.190000     -0.7748000    
 H    2.622200      -2.240000       1.726500    
 H    2.871500      -2.482200     -4.6000001E-03
 H    4.470600     -0.6905000     -6.0999999E-03
 H    4.202200     -0.4482000       1.722900    
 H   0.2253000      -1.988700       1.446200    
 H   0.7505000      -3.467600      0.6583000    
 H    3.722600       2.948000     -0.8246000    
 H    4.183300       1.421700      -1.580500    
 H    5.193400       1.552800      0.6543000    
 H    3.630000       1.897100       1.392400    
 H  -0.4386000       1.464200     -0.1423000    
 H  -0.3474000      0.1749000       1.076100    
 H   -3.862400     -0.4156000      -2.072800    
 H   -3.803800      -1.749100     -0.8961000    
 H   -5.355500      -1.060300      -1.383800    
 H   -6.275800      0.3802000      0.2952000    
 H   -5.196900       1.397500       1.394100    


%chk=000155511-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155511

0 1
O -1.880222 0.006413 -0.340899
O -2.637860 1.676511 1.098252
N 2.377550 -0.482017 0.543861
C 1.937608 0.019051 -0.795333
C 0.436108 -0.323347 -1.049402
C 2.228912 1.532704 -0.938928
C 0.216662 -1.851843 -0.915661
C 2.170906 -1.951306 0.682978
C 3.805412 -0.161617 0.824797
C 0.705198 -2.359519 0.456887
C 3.714869 1.858470 -0.685763
C 4.109067 1.342224 0.714549
C -0.483153 0.482394 -0.114787
C -2.881891 0.701817 0.342948
C -4.237991 0.125615 0.046896
C -4.341201 -1.061247 -0.888736
C -5.308807 0.712686 0.648953
H 2.521405 -0.512276 -1.599422
H 0.206159 -0.023852 -2.092289
H 1.622976 2.098016 -0.205897
H 1.916542 1.858166 -1.950702
H 0.791906 -2.360735 -1.716510
H -0.848754 -2.095340 -1.071014
H 2.500824 -2.245301 1.697596
H 2.816078 -2.509221 -0.049411
H 4.479003 -0.714467 0.114865
H 4.037764 -0.526632 1.843402
H 0.076139 -1.947173 1.267663
H 0.622101 -3.461964 0.510835
H 3.891499 2.947460 -0.768725
H 4.346189 1.366028 -1.454295
H 5.184816 1.512122 0.912101
H 3.535287 1.889645 1.487226
H -0.460977 1.564050 -0.330564
H -0.222598 0.337984 0.947825
H -3.930100 -0.817121 -1.884781
H -3.753761 -1.916644 -0.508813
H -5.391737 -1.377186 -1.005826
H -6.328282 0.347807 0.483626
H -5.168245 1.569343 1.317097


