%chk=000023668.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023668

0 1
 O  -0.1302000      1.2600000E-02 -0.8622000    
 O   -2.061600      -1.213400       2.166800    
 N    3.357300     -0.8585000     -5.8499999E-02
 C    4.044800     -4.2500000E-02  -1.062300    
 C    3.455100     -0.2266000       1.259500    
 C    1.964900      -1.064900     -0.4285000    
 C    1.221300      0.2602000     -0.4803000    
 C    3.371500       1.321300      -1.186900    
 C    4.046300     -0.7770000      -2.399300    
 C    4.918400     -1.5000000E-02   1.637500    
 C    2.742200      -1.093600       2.292600    
 C   -2.222300      -1.070800      0.7542000    
 C   -2.118400      0.3989000      0.4193000    
 C   -3.554600      -1.713100      0.3382000    
 C   -1.077500      0.8599000     -0.3710000    
 C   -3.803900      -1.658300      -1.170200    
 C   -3.080700       1.263200      0.9181000    
 C  -0.9965000       2.219900     -0.6705000    
 C   -5.119100      -2.326700      -1.539800    
 C   -2.999500       2.623100      0.6186000    
 C   -1.957500       3.101500     -0.1755000    
 H    5.103800      7.7200003E-02 -0.8121000    
 H    3.001000      0.7627000       1.345800    
 H    1.453000      -1.759200      0.2482000    
 H    1.861000      -1.591500      -1.384400    
 H    1.211700      0.8103000      0.4637000    
 H    1.419600      0.8709000      -1.335400    
 H    2.941700       1.826600     -0.3206000    
 H    2.858700       1.492400      -2.142900    
 H    4.228900       2.001500      -1.348400    
 H    4.389300      -1.812100      -2.288400    
 H    4.741900     -0.2825000      -3.088200    
 H    3.073200     -0.7828000      -2.900500    
 H    5.007800      0.2254000       2.703800    
 H    5.518900     -0.9155000       1.464000    
 H    5.375900      0.8250000       1.105200    
 H    1.651500      -1.036800       2.216800    
 H    2.986900     -0.7584000       3.307600    
 H    3.047200      -2.144300       2.223400    
 H   -1.412000      -1.646700      0.2943000    
 H   -3.551200      -2.760300      0.6699000    
 H   -4.392900      -1.251000      0.8747000    
 H   -2.984100      -2.157500      -1.699500    
 H   -3.832200     -0.6205000      -1.519200    
 H   -3.893100      0.9124000       1.547200    
 H  -0.1971000       2.608800      -1.295100    
 H   -5.962900      -1.828700      -1.051700    
 H   -5.121400      -3.379900      -1.241300    
 H   -5.276700      -2.280200      -2.621900    
 H   -3.746400       3.310100       1.005600    
 H   -1.895400       4.160200     -0.4098000    
 H   -1.259500     -0.7298000       2.429400    


%chk=000023668-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023668

0 1
O -0.443777 -0.016825 0.490963
O -3.931291 -1.272377 2.263417
N 3.243229 -0.657011 -0.030902
C 3.766117 -0.380507 -1.405375
C 3.930115 0.065490 1.086453
C 1.786768 -0.845239 0.120329
C 0.919393 0.439030 0.166006
C 3.648836 1.098376 -1.888487
C 3.166313 -1.338337 -2.457974
C 5.469031 -0.065668 0.981829
C 3.478305 -0.477084 2.464019
C -3.009867 -1.049645 1.120600
C -2.760823 0.443377 0.915465
C -3.702580 -1.727005 -0.079947
C -1.465425 0.946595 0.600093
C -2.845744 -1.754137 -1.364546
C -3.826792 1.364754 1.037834
C -1.252012 2.335330 0.416915
C -3.569885 -2.462141 -2.529756
C -3.628103 2.751858 0.852867
C -2.336902 3.231933 0.542627
H 4.845693 -0.617317 -1.359861
H 3.692242 1.161308 1.068179
H 1.586034 -1.406436 1.049603
H 1.418558 -1.481842 -0.700682
H 1.276675 1.138580 0.950221
H 0.912690 0.966457 -0.807629
H 4.048705 1.805388 -1.138237
H 2.600730 1.377758 -2.102557
H 4.226706 1.239023 -2.821608
H 3.214512 -2.383877 -2.105120
H 3.745045 -1.261910 -3.396452
H 2.115601 -1.095479 -2.702464
H 5.936512 0.372313 1.882056
H 5.756744 -1.131578 0.922220
H 5.888420 0.461213 0.107081
H 2.413234 -0.279637 2.677157
H 4.067867 0.009491 3.261614
H 3.649333 -1.567909 2.519383
H -2.041748 -1.552987 1.314038
H -3.954444 -2.761783 0.224277
H -4.659939 -1.203843 -0.273583
H -1.884551 -2.264724 -1.155108
H -2.588769 -0.718589 -1.661408
H -4.817521 0.971751 1.292001
H -0.257388 2.722829 0.178187
H -4.520221 -1.950958 -2.774443
H -3.811327 -3.510387 -2.270314
H -2.948084 -2.474625 -3.444010
H -4.467732 3.447845 0.952335
H -2.166323 4.304816 0.398346
H -3.565061 -0.799656 3.054346


