%chk=000170542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170542

0 1
 O    5.800300       1.500600      0.3607000    
 O  -0.9050000      -2.244200     -0.5016000    
 O   -1.552900       1.676400     -0.8139000    
 N   -2.428600     -0.2713000      0.1579000    
 C    2.338700      0.3354000     -2.5800001E-02
 C    2.545500      -1.061700     -0.1163000    
 C  -5.7399999E-02 -1.6200000E-02 -0.2572000    
 C    1.030900      0.8420000     -9.7800002E-02
 C    1.438300      -1.910700     -0.2765000    
 C   0.1458000      -1.390100     -0.3465000    
 C    3.445800       1.184700      0.1342000    
 C    3.853400      -1.568500     -4.4700000E-02
 C    4.738200      0.6637000      0.2035000    
 C    4.941700     -0.7101000      0.1141000    
 C   -1.399100      0.5464000     -0.3256000    
 C   -3.819400     -5.2000000E-03  0.1973000    
 C   -4.290800       1.202000     -0.2895000    
 C   -4.676000     -0.9585000      0.7210000    
 C   -5.660200       1.464100     -0.2514000    
 C   -6.045500     -0.6963000      0.7591000    
 C   -6.537600      0.5151000      0.2729000    
 C    7.093900      0.9024000      0.4262000    
 H   0.8711000       1.916500     -2.1400001E-02
 H    1.589300      -2.986600     -0.3470000    
 H    3.304200       2.261700      0.2059000    
 H    4.034800      -2.639300     -0.1122000    
 H    5.917700      -1.180900      0.1604000    
 H   -2.169500      -1.171600      0.5542000    
 H   -3.678600       1.985700     -0.7097000    
 H   -4.303100      -1.905100       1.101900    
 H  -0.5711000      -3.156700     -0.5421000    
 H   -6.044900       2.407000     -0.6296000    
 H   -6.728900      -1.435300       1.167200    
 H   -7.603900      0.7191000      0.3026000    
 H    7.347800      0.3894000     -0.5077000    
 H    7.191100      0.2480000       1.299100    
 H    7.818900       1.713100      0.5525000    


%chk=000170542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170542

0 1
O 5.845452 1.590918 0.042245
O -0.924021 -2.428581 0.102925
O -1.494854 1.815429 0.037620
N -2.524465 -0.294146 0.068304
C 2.397036 0.240984 0.061938
C 2.625114 -1.190878 0.084140
C -0.060394 -0.135392 0.066951
C 1.049812 0.718807 0.054445
C 1.493307 -2.066118 0.097634
C 0.195853 -1.556314 0.088710
C 3.512572 1.131518 0.048338
C 3.972290 -1.669212 0.092116
C 4.820862 0.631077 0.056602
C 5.054166 -0.784295 0.078800
C -1.417077 0.544623 0.056181
C -3.897676 0.066808 0.064245
C -4.362005 1.411365 0.045651
C -4.842266 -0.998624 0.079764
C -5.750941 1.664245 0.042954
C -6.224647 -0.728248 0.076805
C -6.690452 0.607958 0.058336
C 7.231752 1.117968 0.048961
H 0.840899 1.794357 0.038059
H 1.659997 -3.152031 0.115454
H 3.357297 2.214764 0.031361
H 4.157154 -2.749706 0.109015
H 6.074475 -1.179170 0.085372
H -2.311276 -1.302678 0.083033
H -3.634981 2.224806 0.034046
H -4.487437 -2.037177 0.094319
H -0.645375 -3.375714 0.105533
H -6.099309 2.703364 0.028554
H -6.937899 -1.560147 0.089066
H -7.765130 0.819579 0.055931
H 7.456666 0.507586 -0.847440
H 7.457200 0.535246 0.963454
H 7.843201 2.032028 0.034781


