%chk=000047697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047697

0 1
 O    4.804600     -7.8900002E-02 -0.6278000    
 O   -1.095600       1.753400      0.7410000    
 O   -3.184500      -1.064400      -1.199800    
 O   -5.641000      5.4900002E-02  -1.130900    
 N   -1.375100     -0.5473000      0.8168000    
 N   -4.808400      6.1099999E-02 -3.7000000E-03
 C   0.7947000      0.4332000      0.3139000    
 C  -0.6105000      0.6122000      0.6433000    
 C    1.473800       1.417700     -0.4038000    
 C    1.463200     -0.7233000      0.7156000    
 C   -2.787500     -0.5345000       1.123200    
 C    3.490100      8.9299999E-02 -0.3182000    
 C    2.821400       1.245700     -0.7199000    
 C    2.810900     -0.8953000      0.3996000    
 C   -3.583100     -0.5392000     -0.1631000    
 C    5.426800      -1.284600     -0.1862000    
 H   0.9701000       2.324000     -0.7302000    
 H   0.9805000      -1.499400       1.302400    
 H   -3.022000      0.3478000       1.726800    
 H   -3.023800      -1.438700       1.691600    
 H  -0.9610000      -1.458500      0.6514000    
 H    3.345000       2.015300      -1.280500    
 H    3.271000      -1.813800      0.7480000    
 H   -5.141200      0.5519000      0.8186000    
 H    4.970800      -2.166100     -0.6497000    
 H    5.443100      -1.351900      0.9069000    
 H    6.469100      -1.251400     -0.5198000    
 H   -6.043100      0.9367000      -1.054900    


%chk=000047697-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047697

0 1
O 4.701654 0.154058 -0.694963
O -1.450669 1.486935 0.655139
O -4.827468 -1.390688 -0.141104
O -4.796934 0.993064 -1.400591
N -1.552480 -0.808033 0.957569
N -3.912801 0.713291 -0.302970
C 0.600753 0.222743 0.344953
C -0.853159 0.350831 0.660729
C 1.232604 1.307416 -0.325340
C 1.381724 -0.907846 0.695073
C -2.958427 -0.766001 1.398500
C 3.359224 0.107518 -0.316719
C 2.592313 1.253692 -0.657895
C 2.752368 -0.975946 0.370290
C -3.966658 -0.526824 0.259667
C 5.549039 -1.000387 -0.373537
H 0.628815 2.186358 -0.571493
H 0.944474 -1.737293 1.264183
H -3.061802 0.031879 2.155505
H -3.217753 -1.733652 1.855074
H -1.130380 -1.717766 0.770672
H 3.087453 2.078385 -1.178577
H 3.331973 -1.855742 0.663500
H -3.178178 1.416696 -0.113816
H 5.175814 -1.919527 -0.864359
H 5.613329 -1.157469 0.720203
H 6.541648 -0.744137 -0.770451
H -5.328174 0.134346 -1.448643


