%chk=000065311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065311

0 1
 O    1.601600     -0.1696000     -0.9957000    
 O    3.809900       1.630700      0.1245000    
 O   -1.176700       2.816500     -0.3802000    
 O   -4.354100     -0.4520000      0.2276000    
 N  -0.4522000      0.6057000     -0.1858000    
 N    2.344800      -2.890000     -0.5948000    
 N   -2.750800       1.176400     -7.6099999E-02
 C    3.032300      0.6007000      0.7308000    
 C    2.793100     -0.5236000     -0.2673000    
 C   0.9410000      0.9136000     -0.3259000    
 C    1.638100       1.112700       1.010000    
 C    2.549600      -1.869400      0.4032000    
 C  -0.8225000     -0.7211000     -8.0000004E-03
 C   -1.432300       1.620400     -0.2258000    
 C   -2.085000      -1.142700      0.1351000    
 C   -3.175000     -0.1315000      0.1031000    
 C   -2.461900      -2.576800      0.3254000    
 H    3.562400      0.2741000       1.630400    
 H    3.616700     -0.5935000     -0.9880000    
 H    1.063100       1.805800     -0.9516000    
 H    1.171300      0.5039000       1.793700    
 H    1.600700       2.158700       1.330200    
 H    1.701200      -1.847500       1.091700    
 H    3.425200      -2.141400       1.003700    
 H    3.890300       2.352900      0.7707000    
 H  -4.1099999E-02  -1.460900      1.2800000E-02
 H    3.159300      -2.950700      -1.204800    
 H    1.564000      -2.636800      -1.199000    
 H   -3.474100       1.889800     -0.1019000    
 H   -2.986400      -2.711200       1.277100    
 H   -1.585400      -3.233400      0.3335000    
 H   -3.119200      -2.910100     -0.4843000    


%chk=000065311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065311

0 1
O 1.543451 -0.336298 -0.840185
O 3.736738 1.747481 0.303846
O -1.062688 2.748144 -0.777838
O -4.628736 -0.182708 -0.030509
N -0.575080 0.524450 -0.151739
N 2.916306 -2.907516 -0.918860
N -2.808670 1.229477 -0.408270
C 3.024753 0.586982 0.864845
C 2.930876 -0.449069 -0.283165
C 0.873324 0.804681 -0.189107
C 1.552300 0.914422 1.194621
C 3.144683 -1.919287 0.145287
C -1.044600 -0.745233 0.198269
C -1.455711 1.587297 -0.475668
C -2.378523 -1.070155 0.266156
C -3.372738 -0.032282 -0.051144
C -2.882609 -2.444331 0.630703
H 3.569577 0.183671 1.742638
H 3.635837 -0.161259 -1.084892
H 1.002871 1.729059 -0.777441
H 1.133490 0.155837 1.881970
H 1.421167 1.912274 1.645547
H 2.467494 -2.147561 0.993332
H 4.180406 -2.033681 0.518994
H 3.779689 2.469545 0.981088
H -0.259006 -1.482458 0.380676
H 3.665406 -2.949749 -1.617101
H 1.996385 -2.807845 -1.361462
H -3.473049 1.975739 -0.637728
H -3.544823 -2.396519 1.514097
H -2.050306 -3.135736 0.846866
H -3.490315 -2.867671 -0.189525


