%chk=000049038.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049038

0 1
 O  -0.5425000       1.370000     -8.2199998E-02
 O    5.554000      0.1779000      0.6080000    
 O   0.2341000       3.387500     -0.8735000    
 N   -5.158200     -4.0600002E-02  0.3717000    
 C   -6.079200      -2.278100     -0.1847000    
 C   -5.211000      -1.096900     -0.6502000    
 C   -7.486300      -1.798600      0.1880000    
 C   -7.411900     -0.6473000       1.185200    
 C   -6.501000      0.4703000      0.6774000    
 C   -4.283300       1.048400     -6.2700003E-02
 C   -6.145600      -3.359300      -1.261700    
 C   -2.820500      0.6605000      0.1276000    
 C   -1.884700       1.784500     -0.2961000    
 C   0.4228000       2.271600     -0.4147000    
 C    1.774600       1.719400     -0.1461000    
 C    7.146100      -1.540900      9.1600001E-02
 C    5.712300      -1.236100      0.5016000    
 C    7.382900      -3.041100     -5.6899998E-02
 C    2.907700       2.485700     -0.4196000    
 C    1.911700      0.4350000      0.3802000    
 C    4.314700      0.6829000      0.3594000    
 C    4.177800       1.967500     -0.1669000    
 C    3.181700     -8.3300002E-02  0.6330000    
 C    8.803800      -3.338900     -0.5083000    
 H   -5.615700      -2.720300      0.7080000    
 H   -5.601300     -0.6991000      -1.597300    
 H   -4.209400      -1.488800     -0.8561000    
 H   -8.020300      -1.464800     -0.7109000    
 H   -8.067600      -2.622600      0.6181000    
 H   -7.036900      -1.020000       2.146900    
 H   -8.417500     -0.2511000       1.366700    
 H   -6.441000       1.236200       1.460400    
 H   -6.950200      0.9414000     -0.2069000    
 H   -4.483900       1.340900      -1.101500    
 H   -4.463200       1.939700      0.5531000    
 H   -6.597100      -2.977100      -2.183500    
 H   -5.143500      -3.728700      -1.503500    
 H   -6.743100      -4.211000     -0.9199000    
 H   -2.554600     -0.2333000     -0.4476000    
 H   -2.626000      0.4067000       1.178000    
 H   -2.031000       2.013900      -1.358200    
 H   -2.086200       2.684600      0.2965000    
 H    7.369600      -1.026400     -0.8516000    
 H    7.835300      -1.118500      0.8334000    
 H    7.194500      -3.544000      0.8986000    
 H    6.681100      -3.459500     -0.7878000    
 H    5.046200      -1.659000     -0.2617000    
 H    5.492400      -1.694200       1.472800    
 H    2.822400       3.488500     -0.8297000    
 H    1.056600     -0.1930000      0.6137000    
 H    5.056900       2.568800     -0.3816000    
 H    3.243700      -1.076000       1.068900    
 H    9.012000      -2.877800      -1.479000    
 H    8.951800      -4.418800     -0.6065000    
 H    9.532600      -2.960500      0.2156000    


%chk=000049038-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049038

0 1
O -0.612234 1.253618 -0.114855
O 5.704136 0.076238 -0.207326
O 0.162550 3.411846 -0.543556
N -5.358269 -0.031381 0.441332
C -6.386733 -2.212954 -0.263569
C -5.519764 -0.999570 -0.673354
C -7.759683 -1.719957 0.253468
C -7.580825 -0.671594 1.373065
C -6.676138 0.482379 0.898286
C -4.415634 1.067618 0.118730
C -6.536213 -3.202129 -1.438099
C -2.940237 0.608929 0.104444
C -1.999868 1.792968 -0.124628
C 0.405467 2.194390 -0.336084
C 1.756348 1.581024 -0.291619
C 7.495616 -1.537488 0.000204
C 5.977975 -1.353786 0.050262
C 7.909520 -3.006890 0.247586
C 2.886629 2.417363 -0.511838
C 1.956985 0.201456 -0.035138
C 4.374867 0.503332 -0.219662
C 4.183524 1.887459 -0.477096
C 3.255764 -0.343022 0.002734
C 9.439956 -3.201916 0.191896
H -5.865332 -2.719156 0.574794
H -5.992102 -0.506811 -1.567866
H -4.521175 -1.355083 -0.985866
H -8.321617 -1.268050 -0.591931
H -8.359734 -2.576829 0.616696
H -7.114457 -1.147253 2.257291
H -8.561458 -0.264610 1.687113
H -6.501508 1.194532 1.726665
H -7.201193 1.043757 0.078535
H -4.666956 1.554798 -0.861060
H -4.534405 1.846067 0.898275
H -7.035644 -2.719623 -2.300636
H -5.553307 -3.576173 -1.781839
H -7.145870 -4.076704 -1.143760
H -2.767182 -0.140842 -0.689391
H -2.710059 0.125566 1.070888
H -2.177729 2.293278 -1.095343
H -2.085033 2.556363 0.671864
H 7.865367 -1.202560 -0.987841
H 7.963428 -0.880691 0.758313
H 7.531291 -3.337863 1.236421
H 7.426685 -3.660320 -0.507583
H 5.475978 -1.970227 -0.724382
H 5.573648 -1.632842 1.045608
H 2.719292 3.481405 -0.707929
H 1.086719 -0.438439 0.135449
H 5.063650 2.515161 -0.644468
H 3.386290 -1.409988 0.203342
H 9.840704 -2.910548 -0.796981
H 9.718252 -4.255981 0.372780
H 9.946315 -2.581970 0.955156


