%chk=000004507.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004507

0 1
 O    1.994000       2.044300      0.3918000    
 O   -3.784300     -0.4647000       1.272500    
 O   0.4889000       3.381900       1.534000    
 O   -2.629700      -2.254000      0.3645000    
 O    3.256200      -3.491500      -1.283100    
 O    2.031000      -2.179000      -2.553400    
 N   -1.680400       1.530700      -1.915500    
 N    2.383200      -2.602500      -1.426600    
 C  -0.8465000      0.5338000      0.6021000    
 C  -0.2407000       1.780200     -5.3399999E-02
 C   -2.053400     -1.6600000E-02 -0.1643000    
 C   0.2021000     -0.5326000      0.7402000    
 C  -0.6627000       2.210100      -1.264400    
 C   -2.396300      0.4739000      -1.376800    
 C   0.7965000      -1.063900     -0.3980000    
 C   0.7682000       2.511800      0.7300000    
 C   0.5662000     -0.9777000       2.005500    
 C  -0.1111000       3.394700      -2.010700    
 C   -3.527600     -2.8200001E-02  -2.232700    
 C   -2.839500      -1.063700      0.5083000    
 C    1.769500      -2.054900     -0.2693000    
 C    1.539200      -1.968700       2.134300    
 C    2.140900      -2.507300      0.9969000    
 C    3.089000       2.662400       1.075500    
 C   -4.636000      -1.359000       1.996300    
 C    4.383500       2.040700      0.5965000    
 H   -1.210100      0.8422000       1.593000    
 H   -1.966000       1.874900      -2.825400    
 H   0.5001000     -0.7038000      -1.379700    
 H   0.1059000     -0.5672000       2.899800    
 H  -0.9013000       4.133100      -2.184300    
 H   0.2851000       3.078300      -2.981600    
 H   0.6984000       3.898000      -1.474500    
 H   -4.256800      0.7713000      -2.402400    
 H   -4.060500     -0.8712000      -1.784000    
 H   -3.147000     -0.3605000      -3.204500    
 H    1.828200      -2.320500       3.120400    
 H    2.895200      -3.277500       1.136200    
 H    3.093100       3.737200      0.8622000    
 H    2.980400       2.505800       2.154600    
 H   -5.348300     -0.7602000       2.570200    
 H   -4.046100      -1.964600       2.691100    
 H   -5.191900      -1.997100       1.302600    
 H    5.243600       2.489400       1.101100    
 H    4.385000      0.9619000      0.7853000    
 H    4.497900       2.173800     -0.4843000    


%chk=000004507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004507

0 1
O 1.946824 3.014426 0.396578
O -2.940448 -0.726080 1.780613
O 1.118940 1.747495 2.167216
O -4.326049 -0.692512 -0.095072
O 1.747618 -5.002164 -1.418533
O 0.519900 -3.519426 -2.638047
N -0.975139 1.177700 -2.114690
N 1.074624 -3.905291 -1.535065
C -0.733480 0.321502 0.578885
C 0.161471 1.421696 -0.024008
C -2.028448 0.163546 -0.220874
C 0.048948 -1.006014 0.674194
C 0.075500 1.735437 -1.369903
C -2.079801 0.518126 -1.557700
C 0.187040 -1.848033 -0.451677
C 1.086577 2.039955 0.936609
C 0.667941 -1.389713 1.892729
C 0.967761 2.664834 -2.165114
C -3.238142 0.298211 -2.504309
C -3.203241 -0.439043 0.426608
C 0.933353 -3.039497 -0.339317
C 1.406839 -2.591776 1.987274
C 1.550259 -3.435545 0.867612
C 2.886446 3.642740 1.373569
C -4.064958 -1.332628 2.524251
C 3.719070 4.658289 0.596753
H -0.980983 0.617874 1.611134
H -1.009054 1.388823 -3.112864
H -0.278045 -1.604252 -1.410244
H 0.574204 -0.727322 2.758955
H 0.772635 2.564761 -3.249013
H 2.030063 2.456075 -1.971540
H 0.801703 3.716669 -1.874556
H -4.122265 0.876096 -2.184904
H -3.558455 -0.755817 -2.501351
H -2.970472 0.594457 -3.535507
H 1.872442 -2.870765 2.938203
H 2.114364 -4.370771 0.907267
H 2.291672 4.110279 2.178843
H 3.504706 2.846012 1.825473
H -3.687806 -1.458127 3.549152
H -4.338484 -2.304675 2.080050
H -4.945429 -0.668133 2.501855
H 4.436277 5.151205 1.278174
H 4.290970 4.168190 -0.210159
H 3.077654 5.436686 0.148447


