%chk=000095272.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095272

0 1
 O    4.820600       1.648400     -0.5673000    
 O    2.690700       2.165100      -1.169900    
 N   0.9208000      0.7692000      0.4564000    
 C   -2.541800     -0.3375000     -0.3341000    
 C  -0.4889000      0.7241000      0.4264000    
 C   -3.295500      0.6334000      0.3673000    
 C   -1.139100     -0.2782000     -0.2943000    
 C    1.908700     -0.2308000      0.3730000    
 C   -1.230200       1.678800       1.116500    
 C   -2.624500       1.634900       1.088000    
 C   -3.212800      -1.339000      -1.054400    
 C   -4.698000      0.5742000      0.3278000    
 C    3.164100      4.0199999E-02 -0.1776000    
 C    1.624900      -1.513200      0.8497000    
 C   -4.607000      -1.382600      -1.082900    
 C   -5.348300     -0.4277000     -0.3932000    
 C    4.129000     -0.9643000     -0.2504000    
 C    2.590000      -2.517600      0.7769000    
 C    3.841900      -2.243300      0.2268000    
 C    3.495400       1.365800     -0.6848000    
 H  -0.5655000      -1.013300     -0.8557000    
 H    1.291700       1.704300      0.5991000    
 H  -0.7350000       2.463600       1.682500    
 H   -3.183800       2.391200       1.634900    
 H   -2.654100      -2.096100      -1.600800    
 H   -5.297600       1.310100      0.8596000    
 H   0.6682000      -1.752500       1.305900    
 H   -5.113700      -2.162500      -1.643900    
 H   -6.433600     -0.4622000     -0.4157000    
 H    5.109300     -0.7872000     -0.6852000    
 H    2.368500      -3.512100       1.152800    
 H    4.592400      -3.026300      0.1686000    
 H    5.035300       2.542000     -0.9103000    


%chk=000095272-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095272

0 1
O 5.013486 1.689610 -0.573133
O 2.888947 2.512049 -0.187417
N 0.928980 0.746134 0.232779
C -2.641044 -0.434792 -0.282561
C -0.484469 0.637909 0.252242
C -3.354737 0.670319 0.325404
C -1.209728 -0.422669 -0.315097
C 1.898549 -0.252263 0.212888
C -1.200264 1.740488 0.843282
C -2.590691 1.754293 0.872806
C -3.399278 -1.511788 -0.854119
C -4.786547 0.652949 0.349820
C 3.281090 0.101900 -0.043133
C 1.603549 -1.624628 0.488412
C -4.795854 -1.501027 -0.819188
C -5.497884 -0.411995 -0.210144
C 4.281366 -0.912427 -0.061638
C 2.614325 -2.596772 0.474867
C 3.962421 -2.254966 0.182200
C 3.661470 1.501271 -0.262218
H -0.693332 -1.236045 -0.833792
H 1.325024 1.703601 0.179088
H -0.626798 2.567015 1.278632
H -3.119078 2.600363 1.327747
H -2.864587 -2.347578 -1.321472
H -5.318994 1.491954 0.814068
H 0.584307 -1.911243 0.755675
H -5.362242 -2.329418 -1.259052
H -6.593042 -0.417662 -0.187914
H 5.312100 -0.609838 -0.265178
H 2.353696 -3.636007 0.706325
H 4.740306 -3.023995 0.164445
H 5.171052 2.664156 -0.692924


