%chk=000022733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022733

0 1
 O    1.278200      -2.338700       1.335500    
 O  -0.5149000      -2.790100      -1.001800    
 N   0.8008000     -0.9482000      -1.630500    
 N   -2.546000     -0.5833000     -5.5000000E-02
 C   0.5258000      -1.329500      0.6911000    
 C    1.398700     -0.1367000      0.4138000    
 C  -0.7254000     -0.9915000       1.487900    
 C    1.522000      3.5999998E-02 -0.9636000    
 C   0.1714000      -1.816400     -0.7307000    
 C    2.035900      0.7257000       1.287300    
 C   -1.617900     -3.0500000E-02  0.7477000    
 C    2.267800       1.054300      -1.522500    
 C    2.797800       1.766300      0.7466000    
 C    2.912600       1.929000     -0.6462000    
 C   -1.435300       1.323900      0.9320000    
 C   -2.275800       2.183900      0.2339000    
 C   -3.344400      0.2838000     -0.7172000    
 C   -3.251300       1.661900     -0.6085000    
 H  -0.4681000     -0.5919000       2.477900    
 H   -1.294200      -1.908300       1.695500    
 H   0.7504000      -1.020600      -2.639800    
 H    1.952400      0.6042000       2.361600    
 H    2.355000       1.177000      -2.595900    
 H   0.6926000      -3.099200       1.491200    
 H    3.308900       2.459200       1.409800    
 H    3.510600       2.745500      -1.042100    
 H  -0.6877000       1.726300       1.605000    
 H   -2.173800       3.258700      0.3495000    
 H   -4.088300     -0.1736000      -1.361100    
 H   -3.918000       2.313300      -1.161800    


%chk=000022733-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022733

0 1
O 1.381655 -2.165660 1.585719
O -0.405525 -3.102375 -0.654985
N 0.961461 -1.406024 -1.608208
N -1.632052 0.203837 -0.480015
C 0.569344 -1.257243 0.735793
C 1.446953 -0.118460 0.254806
C -0.704245 -0.880101 1.526398
C 1.648295 -0.255130 -1.145400
C 0.259657 -2.035627 -0.584894
C 2.039797 0.941771 0.950362
C -1.596426 0.167887 0.888868
C 2.430441 0.654928 -1.875371
C 2.837730 1.872988 0.232914
C 3.025689 1.726785 -1.161347
C -2.387038 1.038338 1.681342
C -3.243794 1.963512 1.046858
C -2.459836 1.104427 -1.081593
C -3.285937 1.999701 -0.365871
H -0.387917 -0.554197 2.534249
H -1.287965 -1.816446 1.655760
H 0.929451 -1.720992 -2.577088
H 1.900326 1.046837 2.031593
H 2.583707 0.548680 -2.954631
H 0.939803 -3.058504 1.559067
H 3.312819 2.706498 0.760748
H 3.643389 2.452041 -1.702979
H -2.327648 0.987119 2.773830
H -3.863153 2.643962 1.641033
H -2.454409 1.100967 -2.177771
H -3.934770 2.700980 -0.899586


