%chk=000008645.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008645

0 1
 O   0.4299000      0.9236000      0.2171000    
 O   -1.304400       1.345000      -1.238400    
 O   0.1341000      -1.357100       1.679100    
 N    3.635500     -0.5734000     -0.3277000    
 C    2.721600       1.756600      1.7800000E-02
 C    3.123700      0.3923000      0.6411000    
 C    1.298800       1.714500     -0.5839000    
 C    2.771100       2.817700       1.137400    
 C    3.713100       2.171700      -1.085500    
 C    4.510900      -1.544500      0.3290000    
 C    2.531800      -1.257100      -1.002600    
 C    3.751800      -2.354700       1.366000    
 C    3.046600      -2.219900      -2.059200    
 C   -1.670100     -5.1899999E-02  0.7348000    
 C  -0.8632000      0.8170000     -0.2257000    
 C   -3.128700     -0.1240000      0.3116000    
 C   -1.030300      -1.441700      0.8631000    
 C   -4.041500      0.8154000      0.7915000    
 C   -3.554200      -1.129100     -0.5573000    
 C   -5.379500      0.7496000      0.4031000    
 C   -4.892300      -1.194600     -0.9458000    
 C   -5.804900     -0.2553000     -0.4656000    
 H    2.325300     -9.7000003E-03   1.272700    
 H    3.941200      0.6184000       1.341900    
 H   0.8950000       2.734600     -0.6389000    
 H    1.303600       1.338100      -1.612000    
 H    2.483800       3.806300      0.7614000    
 H    3.778400       2.909200       1.559500    
 H    2.086500       2.560200       1.953500    
 H    4.742600       2.180200     -0.7096000    
 H    3.488000       3.181200      -1.449400    
 H    3.674600       1.504800      -1.953400    
 H    5.004200      -2.205600     -0.3914000    
 H    5.339800      -1.017400      0.8194000    
 H    1.840800      -1.769100     -0.3280000    
 H    1.932800     -0.5423000      -1.562300    
 H    4.463300      -3.013300       1.879300    
 H    2.995300      -3.015500      0.9339000    
 H    3.290200      -1.746500       2.148600    
 H    2.217100      -2.538500      -2.700800    
 H    3.474000      -3.129600      -1.627200    
 H    3.794800      -1.749200      -2.706300    
 H   -1.624900      0.4471000       1.713100    
 H   -1.709900      -2.150800       1.348500    
 H  -0.7283000      -1.844600     -0.1097000    
 H   -3.722600       1.604800       1.466800    
 H   -2.867100      -1.864600     -0.9640000    
 H   -6.090000       1.481500      0.7761000    
 H   -5.223100      -1.974300      -1.625600    
 H   0.5032000      -2.254500       1.743800    
 H   -6.846500     -0.3058000     -0.7692000    


%chk=000008645-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000008645

0 1
O 0.201875 0.465306 -0.169268
O -0.870832 -0.385616 -2.052231
O -0.760955 -2.941174 0.159718
N 3.538828 -0.660317 0.058311
C 2.380669 1.615656 -0.139883
C 2.995470 0.510805 0.787500
C 1.295343 1.003998 -1.041160
C 1.794923 2.743555 0.745416
C 3.470605 2.184839 -1.083736
C 5.016443 -0.787092 0.091292
C 2.784444 -1.924438 0.269199
C 5.632649 -1.265851 1.436046
C 3.043857 -2.974025 -0.828316
C -1.825584 -0.777332 0.198688
C -0.809599 -0.231277 -0.808584
C -3.150696 -0.008754 0.154683
C -2.050434 -2.274284 -0.096027
C -3.731390 0.459661 1.359667
C -3.835350 0.208225 -1.069496
C -4.976039 1.129146 1.347428
C -5.078482 0.879032 -1.081695
C -5.654780 1.339371 0.125178
H 2.209763 0.188118 1.499659
H 3.790133 0.996371 1.393206
H 0.851725 1.752529 -1.723546
H 1.710159 0.166652 -1.629941
H 1.389279 3.564644 0.124634
H 2.578600 3.171399 1.399242
H 0.977591 2.364405 1.383894
H 4.279045 2.658073 -0.495274
H 3.054094 2.953557 -1.762120
H 3.911762 1.378627 -1.697231
H 5.328470 -1.478386 -0.714527
H 5.443304 0.199476 -0.168235
H 2.997469 -2.379559 1.268741
H 1.708420 -1.679817 0.267008
H 6.736999 -1.272706 1.369886
H 5.304204 -2.289229 1.692760
H 5.346132 -0.597112 2.269219
H 2.382956 -3.846725 -0.672729
H 4.086696 -3.341001 -0.824830
H 2.830553 -2.547306 -1.824942
H -1.384021 -0.690407 1.206066
H -2.837211 -2.669132 0.577711
H -2.366012 -2.398808 -1.151302
H -3.205983 0.301505 2.309468
H -3.381163 -0.128834 -2.008350
H -5.411885 1.487375 2.286905
H -5.596402 1.045013 -2.033171
H -0.764544 -3.842447 -0.247166
H -6.619201 1.859491 0.112833


