%chk=000056903.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056903

0 1
 O  -0.6955000       2.311900      4.9300000E-02
 O   -4.173800       1.762700     -0.4725000    
 O    4.258400       2.277400      0.6525000    
 O    4.842800      0.1793000      0.3781000    
 N    3.976300       1.080800      0.4204000    
 C   -1.512200      0.2656000     -0.3906000    
 C  -0.1011000      0.1476000     -0.2361000    
 C   -2.492300     -0.7980000     -0.6895000    
 C   0.8554000     -0.9024000     -0.2923000    
 C   0.3486000       1.436600      3.3000000E-02
 C   -3.064400      -1.464700      0.5761000    
 C   -1.817600       1.593700     -0.2081000    
 C    2.224100     -0.5937000     -7.2200000E-02
 C   -4.043900      -2.589300      0.2410000    
 C    1.681500       1.773200      0.2534000    
 C    2.611000      0.7300000      0.1951000    
 C   0.4648000      -2.229600     -0.5602000    
 C    3.164900      -1.633600     -0.1281000    
 C   -3.056300       2.295200     -0.2450000    
 C   -4.569500      -3.263700       1.498100    
 C    1.421700      -3.242200     -0.6097000    
 C    2.765900      -2.945600     -0.3946000    
 C   -3.088900       3.808900      2.0000001E-03
 H   -3.330800     -0.3775000      -1.258700    
 H   -2.087400      -1.538700      -1.382100    
 H   -3.568200     -0.7110000       1.194400    
 H   -2.242500      -1.866900       1.181800    
 H   -4.886400      -2.188600     -0.3343000    
 H   -3.548100      -3.338400     -0.3872000    
 H    1.943500       2.805500      0.4567000    
 H  -0.5598000      -2.534600     -0.7032000    
 H    4.231100      -1.613900      8.2000000E-03
 H   -5.096700      -2.547300       2.136200    
 H   -3.752300      -3.704300       2.078100    
 H   -5.268800      -4.063500       1.235000    
 H    1.118400      -4.266200     -0.8087000    
 H    3.504300      -3.742200     -0.4332000    
 H   -2.701100       4.024800       1.001100    
 H   -4.117800       4.174100     -6.3299999E-02
 H   -2.486000       4.316100     -0.7559000    


%chk=000056903-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056903

0 1
O -0.680195 2.404803 0.014670
O -4.229202 1.825183 -0.501097
O 4.242101 2.321541 0.959540
O 5.001495 0.422489 -0.030400
N 4.038475 1.179242 0.384902
C -1.565868 0.290815 -0.420364
C -0.126205 0.165765 -0.235866
C -2.589603 -0.778238 -0.709591
C 0.823079 -0.925773 -0.260563
C 0.359586 1.472625 0.020016
C -3.039526 -1.543163 0.570710
C -1.861729 1.654100 -0.254868
C 2.240012 -0.630846 -0.063474
C -4.060440 -2.657836 0.250804
C 1.703633 1.802843 0.237803
C 2.628218 0.753364 0.180666
C 0.420586 -2.282762 -0.458728
C 3.166905 -1.724996 -0.073713
C -3.122097 2.420514 -0.315358
C -4.530869 -3.410500 1.513624
C 1.352382 -3.324363 -0.467329
C 2.731508 -3.039961 -0.269396
C -3.031437 3.928766 -0.149034
H -3.482461 -0.305497 -1.151797
H -2.190475 -1.496224 -1.450974
H -3.493470 -0.816867 1.272419
H -2.161775 -1.979110 1.089302
H -4.934111 -2.211354 -0.264392
H -3.609637 -3.377206 -0.464280
H 2.033054 2.823894 0.438372
H -0.637452 -2.510480 -0.596634
H 4.228797 -1.520474 0.057954
H -5.022933 -2.721225 2.224842
H -3.678332 -3.882009 2.038158
H -5.254473 -4.206768 1.260835
H 1.020258 -4.356500 -0.619812
H 3.463483 -3.854356 -0.270713
H -2.564573 4.188739 0.818397
H -4.042825 4.358191 -0.204433
H -2.392584 4.371133 -0.935199


