%chk=000058159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058159

0 1
 O   0.3366000      0.5354000     -9.6799999E-02
 O   -2.762400     -0.4096000      -1.663600    
 O  -0.1793000     -6.8499997E-02  -2.258200    
 N    3.467600      -1.048700     -0.2934000    
 C    2.538100       1.142900      0.7484000    
 C    1.699500      0.7084000     -0.4673000    
 C    3.982400       1.334900      0.2642000    
 C    2.543700     -8.9999998E-04   1.777600    
 C    2.250800     -0.6183000      -1.020000    
 C    4.481400      2.6500000E-02 -0.3717000    
 C    3.115800      -1.269900       1.126000    
 C   -2.065100     -0.9794000      0.5324000    
 C   -1.840300      -2.454300      0.1391000    
 C   -3.515600      -1.373300      0.8811000    
 C   -2.991200      -2.807200       1.104300    
 C   -1.933300     -7.1000000E-03 -0.5823000    
 C  -0.5115000      0.1398000      -1.097200    
 C   -2.435300       1.264800     -4.1000001E-02
 C   -2.843600       2.307600      0.3941000    
 C   -3.338400       3.576900      0.9243000    
 H    2.137400       2.055500       1.201600    
 H    1.754400       1.493700      -1.233300    
 H    4.628100       1.613000       1.105500    
 H    4.031700       2.149700     -0.4677000    
 H    1.528200     -0.1917000       2.143900    
 H    3.152500      0.2790000       2.645700    
 H    1.525000      -1.439200     -0.9718000    
 H    2.501800     -0.4996000      -2.081900    
 H    4.755500      0.2004000      -1.419900    
 H    5.405200     -0.2996000      0.1224000    
 H    4.001500      -1.607900       1.678400    
 H    2.390600      -2.089700       1.205200    
 H   -1.486500     -0.7180000       1.432700    
 H   -2.056600      -2.716000     -0.9030000    
 H  -0.8634000      -2.868400      0.4048000    
 H   -3.935600     -0.8911000       1.768800    
 H   -4.253500      -1.312100      7.3200002E-02
 H   -3.654300      -3.613100      0.7806000    
 H   -2.662300      -3.002900       2.131300    
 H   -2.752300      0.2947000      -2.334500    
 H   -4.097900       3.407700       1.693400    
 H   -2.524600       4.155100       1.372200    
 H   -3.787700       4.181500      0.1308000    


%chk=000058159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058159

0 1
O 0.322298 0.385429 -0.117537
O -2.929625 -0.318665 -1.644141
O -0.395876 0.332569 -2.333836
N 3.552150 -1.117896 -0.209160
C 2.528515 1.118702 0.645728
C 1.742482 0.602099 -0.575282
C 3.995644 1.347063 0.179172
C 2.511453 0.057672 1.780094
C 2.393916 -0.739343 -1.062311
C 4.587947 -0.040843 -0.273528
C 3.095985 -1.284651 1.206617
C -2.115364 -1.003493 0.550545
C -1.781561 -2.472513 0.117421
C -3.527657 -1.492050 1.019766
C -2.968132 -2.958372 1.023074
C -2.070538 0.105564 -0.529300
C -0.630846 0.279484 -1.099607
C -2.512824 1.410517 0.016808
C -2.916589 2.483443 0.473112
C -3.401246 3.764293 1.006981
H 2.082850 2.065098 0.998214
H 1.705531 1.352397 -1.385996
H 4.577699 1.776493 1.015400
H 4.025213 2.081594 -0.648726
H 1.480507 -0.081325 2.148089
H 3.120627 0.427722 2.625873
H 1.646467 -1.552509 -1.025692
H 2.734331 -0.643855 -2.107579
H 4.968191 0.007095 -1.309850
H 5.428688 -0.345187 0.374824
H 3.958510 -1.634765 1.801275
H 2.335299 -2.085903 1.220086
H -1.493511 -0.681102 1.403762
H -2.003949 -2.624226 -0.952305
H -0.771895 -2.851919 0.349059
H -3.910436 -1.084634 1.969255
H -4.275156 -1.345032 0.223273
H -3.621272 -3.743219 0.609088
H -2.623442 -3.269213 2.025447
H -2.508787 0.019734 -2.482902
H -4.160412 3.606463 1.794811
H -2.574687 4.351811 1.447505
H -3.863397 4.376474 0.210869


