%chk=000093113.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093113

0 1
 O    4.690100      -2.080000      0.3449000    
 O   -4.682100       2.092500     -0.2434000    
 O    4.266700       2.491800      4.0000002E-03
 O   -4.269100      -2.490800     -0.1025000    
 N    4.385400      0.2197000      0.2188000    
 N   -4.383000     -0.2112000     -0.2179000    
 N    4.987500       1.517000     -0.2353000    
 N   -4.987200      -1.525600      0.1803000    
 N    6.336900     -0.8458000     -0.6191000    
 N   -6.330700      0.8213000      0.6678000    
 C   0.5520000      3.9999999E-02  0.4888000    
 C  -0.5765000     -4.8999999E-02 -0.5416000    
 C    1.949800      7.9300001E-02 -0.1396000    
 C   -1.947200     -9.2200004E-02  0.1425000    
 C    3.097300      0.2273000      0.8552000    
 C   -3.095700     -0.1941000     -0.8564000    
 C    5.109400     -0.9701000      3.8000001E-03
 C   -5.103500      0.9699000      4.9800001E-02
 H   0.4928000     -0.8177000       1.170200    
 H   0.4119000      0.9404000       1.099800    
 H  -0.4429000     -0.9482000      -1.154800    
 H  -0.5283000      0.8144000      -1.215700    
 H    2.097400     -0.8357000     -0.7280000    
 H    1.990100      0.9085000     -0.8576000    
 H   -2.075800      0.8069000      0.7583000    
 H   -1.983600     -0.9461000      0.8305000    
 H    3.056600     -0.6146000       1.557500    
 H    2.975400       1.130800       1.463400    
 H   -3.055900      0.6771000      -1.522400    
 H   -2.979000      -1.070900      -1.503600    
 H    6.903800      -1.667600     -0.8011000    
 H    6.729600      3.8600001E-02 -0.9204000    
 H   -6.895700       1.635700      0.8860000    
 H   -6.725100     -7.4400000E-02  0.9309000    


%chk=000093113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093113

0 1
O 4.688057 -2.107512 0.307618
O -4.695687 2.104990 -0.296672
O 4.372833 2.478004 0.019499
O -4.367628 -2.480804 -0.031808
N 4.442631 0.229846 0.220914
N -4.443803 -0.232072 -0.221624
N 5.056276 1.418071 -0.190716
N -5.053851 -1.423937 0.184659
N 6.398180 -0.807556 -0.631543
N -6.401548 0.795769 0.637382
C 0.581761 0.055524 0.503009
C -0.583236 -0.051245 -0.506174
C 1.962594 0.082450 -0.188913
C -1.963599 -0.080642 0.186524
C 3.104184 0.188890 0.849105
C -3.106009 -0.184499 -0.850880
C 5.180654 -0.998013 -0.027295
C -5.184955 0.992538 0.033290
H 0.537645 -0.801499 1.206024
H 0.454723 0.973989 1.112284
H -0.455474 -0.968807 -1.116616
H -0.540179 0.806691 -1.208110
H 2.101461 -0.841421 -0.782465
H 2.014913 0.941340 -0.885234
H -2.102515 0.841346 0.782970
H -2.015009 -0.941610 0.880321
H 3.090882 -0.683887 1.522076
H 2.999024 1.118749 1.436683
H -3.095645 0.691713 -1.519410
H -2.999183 -1.111072 -1.443366
H 6.965443 -1.627139 -0.832443
H 6.712826 0.135580 -0.863235
H -6.970928 1.612795 0.842652
H -6.713436 -0.149370 0.864592


