%chk=000030493.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030493

0 1
 O   -3.624900       1.534500      -1.311900    
 O   -4.872400     -0.4710000      0.1534000    
 N   0.7237000       1.299100       2.309100    
 C  -0.7735000     -0.5410000     -0.3962000    
 C   -1.514200      0.4925000     -0.9506000    
 C   -2.896700      0.5202000     -0.7671000    
 C   -3.522900     -0.4860000     -3.1399999E-02
 C   0.6837000     -0.5700000     -0.5885000    
 C   -1.384200      -1.547400      0.3375000    
 C    3.038100     -4.5000002E-02  1.3000000E-03
 C    1.602400      1.4700000E-02  0.2261000    
 C   -2.766500      -1.519800      0.5209000    
 C    3.855700      0.9994000      0.4337000    
 C    3.597700      -1.146300     -0.6467000    
 C    5.232600      0.9425000      0.2179000    
 C    4.974500      -1.203100     -0.8624000    
 C    5.792000     -0.1587000     -0.4301000    
 C    1.106300      0.7237000       1.376700    
 C   -3.817700       2.697700     -0.5094000    
 C   -5.433900      -1.536200      0.9176000    
 H   -1.031600       1.278800      -1.526300    
 H   0.9867000      -1.102800      -1.486900    
 H  -0.8051000      -2.358000      0.7722000    
 H   -3.184400      -2.333800       1.103000    
 H    3.454100       1.879500      0.9292000    
 H    2.997600      -1.989000     -0.9795000    
 H    5.869200       1.756700      0.5517000    
 H    5.411400      -2.062400      -1.362700    
 H    6.864100     -0.2032000     -0.5977000    
 H   -2.855800       3.163000     -0.2716000    
 H   -4.351400       2.445900      0.4125000    
 H   -4.420100       3.410900      -1.078700    
 H   -6.514500      -1.364600      0.9641000    
 H   -5.066700      -1.529900       1.949500    
 H   -5.286900      -2.505100      0.4284000    


%chk=000030493-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030493

0 1
O -3.620734 0.795315 -2.066532
O -4.918343 -0.260230 0.240051
N 1.601841 -1.258288 3.043254
C -0.660307 -0.130774 0.005660
C -1.506190 0.370862 -1.031004
C -2.907353 0.348763 -0.942376
C -3.520030 -0.210480 0.225368
C 0.781415 -0.055449 -0.227436
C -1.292581 -0.659886 1.169117
C 3.281739 -0.261101 0.099956
C 1.867452 -0.391300 0.566540
C -2.694216 -0.695054 1.270799
C 4.344778 -0.194437 1.044272
C 3.610448 -0.208080 -1.284824
C 5.683078 -0.053652 0.621940
C 4.947980 -0.064399 -1.705105
C 5.993627 0.017796 -0.755024
C 1.699824 -0.865153 1.915548
C -4.699340 1.784225 -1.852784
C -5.568867 -0.910604 1.384793
H -1.073828 0.791312 -1.946049
H 1.040058 0.356666 -1.212280
H -0.700156 -1.051745 1.997674
H -3.144815 -1.119692 2.172609
H 4.119860 -0.246540 2.115499
H 2.826275 -0.312422 -2.042631
H 6.482631 -0.000097 1.368942
H 5.177520 -0.032574 -2.776041
H 7.032860 0.123910 -1.084535
H -4.295003 2.696275 -1.372622
H -5.509599 1.360093 -1.238245
H -5.063159 2.024299 -2.863226
H -6.644426 -0.871497 1.159842
H -5.362756 -0.366764 2.326171
H -5.243281 -1.963499 1.479779


