%chk=000045920.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045920

0 1
 O    3.051600       2.784300      0.8746000    
 O    4.857400       1.906500     -0.4565000    
 O   -2.621300      0.4371000      -2.564400    
 O   -3.765000      0.5538000       2.084900    
 O   -4.386300       1.142000     -0.5487000    
 N   0.5015000      -2.840800      8.6300001E-02
 C   0.4766000      -1.488200      0.7135000    
 C    1.685300     -0.6044000      0.3690000    
 C    1.853900      -3.407200      5.0500002E-02
 C    2.744300      -2.551700     -0.8451000    
 C    2.773000      -1.123900     -0.3769000    
 C  -0.8356000     -0.7788000      0.3724000    
 C    1.746700      0.7218000      0.8409000    
 C    3.870400     -0.3110000     -0.7044000    
 C  -0.4031000      -3.771800      0.7714000    
 C    2.845800       1.488600      0.5120000    
 C    3.876000      0.9882000     -0.2448000    
 C   -1.711400     -0.4323000       1.392600    
 C   -1.134300     -0.4904000     -0.9527000    
 C   -2.330600      0.1562000      -1.263200    
 C   -2.907900      0.2141000       1.082100    
 C    4.325900       3.044800      0.2517000    
 C   -3.217500      0.5086000     -0.2458000    
 C   -2.181500       1.696300      -3.069200    
 C   -3.593300       1.840300       2.676400    
 C   -5.520700      0.3179000     -0.8066000    
 H   0.5425000      -1.625900       1.803600    
 H    1.831300      -4.420400     -0.3697000    
 H    2.276400      -3.482000       1.061800    
 H    2.383700      -2.577100      -1.880900    
 H    3.757800      -2.970500     -0.8338000    
 H   0.9523000       1.143600       1.447800    
 H    4.697200     -0.6955000      -1.292700    
 H  -0.1225000      -3.921500       1.820200    
 H  -0.3973000      -4.748000      0.2728000    
 H   -1.439900      -3.421900      0.7365000    
 H   -1.476100     -0.6597000       2.428900    
 H  -0.4496000     -0.7625000      -1.752000    
 H    5.041500       3.341200       1.027200    
 H    4.208400       3.874600     -0.4547000    
 H   -1.090200       1.768100      -3.022100    
 H   -2.636800       2.517500      -2.506700    
 H   -2.492400       1.773900      -4.114700    
 H   -2.604100       1.920800       3.138300    
 H   -4.353100       1.964700       3.452700    
 H   -3.724300       2.628900       1.928700    
 H   -5.765800     -0.2867000      7.2300002E-02
 H   -5.337800     -0.3306000      -1.669200    
 H   -6.371200      0.9671000      -1.032000    


%chk=000045920-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045920

0 1
O 3.220959 2.770785 0.943256
O 5.076225 1.888927 -0.309806
O -2.703920 0.282135 -2.495842
O -3.478289 0.742428 2.378558
O -4.370536 1.225513 -0.344646
N 0.607866 -2.866215 0.029337
C 0.599912 -1.559561 0.741015
C 1.830825 -0.698287 0.385353
C 1.943524 -3.504118 0.011200
C 2.904936 -2.659917 -0.837010
C 2.929070 -1.220040 -0.349231
C -0.710569 -0.812586 0.454389
C 1.855225 0.647883 0.860875
C 4.066985 -0.405095 -0.630560
C -0.443213 -3.774926 0.530907
C 2.976902 1.420036 0.574755
C 4.063594 0.905720 -0.160864
C -1.501574 -0.318706 1.513130
C -1.114507 -0.580730 -0.881866
C -2.304522 0.120403 -1.146747
C -2.708108 0.378006 1.258356
C 4.557029 3.100338 0.381295
C -3.134958 0.580779 -0.082267
C -2.792819 1.688470 -2.952062
C -3.945975 2.144525 2.449249
C -5.406552 0.312164 -0.889078
H 0.638815 -1.730372 1.852572
H 1.833564 -4.511990 -0.429347
H 2.360071 -3.634823 1.043423
H 2.566457 -2.697302 -1.891131
H 3.923124 -3.092781 -0.802339
H 1.010883 1.062443 1.417793
H 4.916324 -0.803814 -1.192922
H -0.300663 -4.057720 1.604724
H -0.446425 -4.699504 -0.072650
H -1.432076 -3.297270 0.433249
H -1.214846 -0.480060 2.558195
H -0.513527 -0.955033 -1.715240
H 5.240573 3.361874 1.207784
H 4.446478 3.914080 -0.356906
H -1.794122 2.163430 -2.911163
H -3.509055 2.258901 -2.333989
H -3.139427 1.635554 -3.995569
H -3.079239 2.831266 2.507210
H -4.530462 2.202589 3.380225
H -4.570880 2.395642 1.576777
H -5.638680 -0.478386 -0.151739
H -5.061009 -0.137831 -1.836942
H -6.293487 0.941276 -1.061415


