%chk=000054564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054564

0 1
 O  -0.9341000      0.2666000     -0.7588000    
 O   0.3677000      -1.427200      0.1024000    
 N   -3.656100     -0.5528000       1.320100    
 C   -3.324600      0.2122000      -1.141000    
 C   -2.090600     -0.5515000     -0.6275000    
 C   -3.579600       1.415400     -0.2163000    
 C   -4.531000     -0.7293000      -1.016600    
 C   -2.307400     -0.9406000      0.8459000    
 C   -3.784800      0.9174000       1.223300    
 C   -4.673200      -1.179500      0.4469000    
 C   0.2482000     -0.2971000     -0.3527000    
 C    1.389600      0.6931000     -0.5635000    
 C    1.093200       2.005500      0.1901000    
 C    2.733000      7.1999997E-02 -0.2122000    
 C    2.124900       3.093800     -8.0200002E-02
 C    3.201300      0.1813000       1.081800    
 C    3.444200     -0.5830000      -1.197200    
 C    4.433000     -0.3883000       1.404200    
 C    4.675900      -1.152700     -0.8747000    
 C    5.170300      -1.055300      0.4261000    
 H   -3.181500      0.5529000      -2.171700    
 H   -1.951800      -1.451000      -1.242500    
 H   -4.468900       1.963000     -0.5509000    
 H   -2.737000       2.115400     -0.2554000    
 H   -4.398900      -1.602600      -1.666100    
 H   -5.444200     -0.2167000      -1.341600    
 H   -2.194100      -2.026200      0.9608000    
 H   -1.567600     -0.4887000       1.517700    
 H   -3.059700       1.398300       1.891700    
 H   -4.771500       1.227400       1.589800    
 H   -5.677500     -0.9367000      0.8158000    
 H   -4.593300      -2.272000      0.5119000    
 H    1.400300      0.9214000      -1.639300    
 H   0.1221000       2.398500     -0.1385000    
 H   0.9810000       1.846400       1.268500    
 H    2.230300       3.274100      -1.155000    
 H    1.805000       4.031900      0.3856000    
 H    3.109500       2.848200      0.3255000    
 H    2.645700      0.6690000       1.874400    
 H    3.066200     -0.6663000      -2.211700    
 H    4.815600     -0.3180000       2.418300    
 H    5.249700      -1.673100      -1.636000    
 H    6.128600      -1.500200      0.6774000    


%chk=000054564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054564

0 1
O -0.844316 0.324044 -0.059410
O 0.147005 -0.295900 1.957478
N -4.341722 0.291750 0.746743
C -2.791994 -0.778829 -1.051078
C -2.014611 -0.562545 0.263012
C -3.350406 0.574107 -1.570206
C -3.977357 -1.734916 -0.733214
C -2.974328 0.105557 1.307875
C -4.269992 1.186296 -0.451127
C -4.895692 -1.036922 0.340776
C 0.188489 0.342240 0.877605
C 1.350921 1.214694 0.399904
C 1.832882 2.129630 1.567265
C 2.474404 0.322417 -0.148750
C 2.931955 3.120274 1.135562
C 3.069120 -0.678344 0.663351
C 2.950382 0.503080 -1.470873
C 4.121331 -1.475303 0.161826
C 4.005536 -0.292889 -1.973560
C 4.595762 -1.284732 -1.157599
H -2.122502 -1.231484 -1.803242
H -1.601985 -1.512374 0.649752
H -3.920570 0.396942 -2.501528
H -2.514613 1.251957 -1.815623
H -3.598016 -2.706298 -0.361475
H -4.536294 -1.938331 -1.665482
H -3.040603 -0.508767 2.222025
H -2.577290 1.095435 1.596846
H -3.887222 2.166658 -0.114669
H -5.300904 1.340897 -0.817417
H -5.914256 -0.871806 -0.053598
H -4.988115 -1.658382 1.249905
H 0.972416 1.847127 -0.423346
H 0.960827 2.688142 1.961281
H 2.192803 1.488997 2.393349
H 2.575708 3.790433 0.330067
H 3.241270 3.753010 1.987144
H 3.826118 2.589898 0.762848
H 2.693214 -0.841283 1.680132
H 2.493921 1.269766 -2.108891
H 4.569507 -2.246893 0.798229
H 4.364048 -0.139131 -2.997781
H 5.413071 -1.903220 -1.545306


