%chk=000050933.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050933

0 1
 O   -1.723700      0.6640000     -0.3442000    
 O   -1.046600     -0.9454000       1.190200    
 O   -3.064200      -2.466900      0.4887000    
 O   -3.742400     -0.8919000      -1.025600    
 N  -0.6544000       1.456700      3.5900000E-02
 N    1.389700       2.323800      7.7900000E-02
 C    2.319100     -0.1384000      -1.419500    
 C    2.350700      -1.066200     -0.2010000    
 C   0.9649000      0.5513000      -1.619900    
 C    3.712300      -1.747600     -5.9300002E-02
 C   0.5920000       1.471200     -0.4836000    
 C    3.737900      -2.699400       1.126100    
 C  -0.6650000       2.391700       1.032300    
 C   0.6075000       2.912900       1.039500    
 C   -1.789700     -0.5180000      0.3275000    
 C   -2.988000      -1.297800     -0.1649000    
 H    3.108400      0.6177000      -1.322200    
 H    2.548600     -0.7192000      -2.321500    
 H    2.136000     -0.5018000      0.7137000    
 H    1.567000      -1.826800     -0.3028000    
 H   0.1979000     -0.2140000      -1.782600    
 H    1.007400       1.152300      -2.536500    
 H    4.495500     -0.9913000      6.8000004E-02
 H    3.946200      -2.306900     -0.9726000    
 H    2.987100      -3.487900       1.012500    
 H    4.720100      -3.175000       1.209200    
 H    3.538100      -2.166500       2.061200    
 H   -1.544600       2.595400       1.626300    
 H   0.9999000       3.682500       1.688100    
 H   -3.830500      -3.005700      0.1974000    


%chk=000050933-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050933

0 1
O -1.273578 0.315260 -0.229421
O -0.768163 -0.603313 1.902130
O -3.009818 -2.305359 1.092742
O -1.771606 -2.430591 -0.886439
N -0.442920 1.461458 0.060420
N 1.149782 2.983996 -0.206717
C 2.460969 0.105353 -1.408412
C 2.102227 -1.021821 -0.415046
C 1.252379 0.997213 -1.815616
C 3.307624 -1.928013 -0.076400
C 0.691015 1.809289 -0.686156
C 2.947886 -3.056644 0.913978
C -0.722383 2.441385 1.027028
C 0.292488 3.375482 0.842444
C -1.285477 -0.686336 0.786143
C -2.037026 -1.888104 0.201573
H 3.248523 0.750913 -0.973429
H 2.882358 -0.340344 -2.331865
H 1.713208 -0.580589 0.525476
H 1.287578 -1.644537 -0.843381
H 0.453498 0.365155 -2.246987
H 1.575878 1.708242 -2.596779
H 4.121070 -1.305655 0.348947
H 3.708352 -2.367821 -1.012596
H 2.166577 -3.718332 0.493772
H 3.827663 -3.682535 1.151677
H 2.560911 -2.641183 1.863490
H -1.553955 2.359813 1.719029
H 0.465247 4.298592 1.389721
H -3.473109 -3.118176 0.748972