%chk=000052392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052392

0 1
 O   0.8663000     -0.1413000       1.136300    
 O   -2.660500      0.4424000       1.455800    
 O  -0.5497000     -0.1829000       2.954200    
 N    4.234400      -1.084300     -0.8379000    
 C   -1.648200     -0.9763000     -0.1593000    
 C   -2.812600     -0.7546000      -1.134100    
 C   -1.884200      -2.227000      0.6982000    
 C   -1.442900      0.2527000      0.7243000    
 C   -3.072200      -1.990400      -1.992600    
 C   -2.145100      -3.460300     -0.1635000    
 C   -3.297400      -3.233100      -1.137000    
 C    3.244300     -0.4839000       1.163000    
 C    3.544200      0.8082000      0.3991000    
 C    3.188800      -1.549000      7.4100003E-02
 C    4.009500      0.3554000     -0.9832000    
 C    1.976000     -0.4148000       1.997200    
 C   -1.157500       1.568200      5.2000000E-03
 C  -0.3503000     -5.0500002E-02   1.752700    
 C    4.212600      -1.783500      -2.113900    
 C  -0.4061000       1.542800      -1.149700    
 C   -1.661200       2.736200      0.5349000    
 C  -0.1454000       2.745000      -1.807200    
 C   -1.400600       3.938400     -0.1228000    
 C  -0.6426000       3.942600      -1.293800    
 H  -0.7446000      -1.178500     -0.7495000    
 H   -2.625500      8.9800000E-02  -1.804500    
 H   -3.739600     -0.5293000     -0.5936000    
 H   -2.740700      -2.083000       1.368500    
 H   -1.016600      -2.446200       1.330500    
 H   -3.947000      -1.819700      -2.630300    
 H   -2.217900      -2.156200      -2.660500    
 H   -1.237000      -3.712200     -0.7250000    
 H   -2.370600      -4.318600      0.4795000    
 H   -4.233400      -3.124700     -0.5753000    
 H   -3.412500      -4.110200      -1.783600    
 H    4.090100     -0.6972000       1.831600    
 H    4.334300       1.367700      0.9131000    
 H    2.676800       1.470900      0.3121000    
 H    2.210600      -1.583800     -0.4216000    
 H    3.412500      -2.542700      0.4764000    
 H    4.920400      0.8774000      -1.292800    
 H    3.221700      0.5717000      -1.716300    
 H    2.061600      0.3831000       2.744200    
 H    1.811300      -1.370800       2.507900    
 H   -3.316600      0.8911000      0.8966000    
 H    5.008600      -1.409900      -2.767200    
 H    4.396700      -2.853100      -1.965600    
 H    3.256600      -1.669800      -2.637700    
 H   1.3500000E-02  0.6339000      -1.565200    
 H   -2.230700       2.774500       1.457800    
 H   0.4497000       2.749300      -2.715800    
 H   -1.781700       4.872200      0.2801000    
 H  -0.4371000       4.879100      -1.804200    


%chk=000052392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052392

0 1
O 0.927299 0.139708 1.143283
O -2.659332 0.260376 1.619852
O -0.364504 0.397108 3.065255
N 3.666676 -1.837033 -0.764621
C -1.370387 -0.729019 -0.269138
C -2.547375 -0.648272 -1.276731
C -1.323754 -2.131830 0.388704
C -1.442378 0.410868 0.804689
C -2.440106 -1.756903 -2.352185
C -1.227611 -3.249083 -0.677097
C -2.379462 -3.160519 -1.705361
C 3.320009 -0.339975 1.084104
C 3.479904 0.471784 -0.250105
C 3.156765 -1.820443 0.627073
C 3.203702 -0.562433 -1.365374
C 2.168683 0.136664 1.973644
C -1.367755 1.841505 0.212459
C -0.280722 0.304425 1.827317
C 3.329932 -3.046677 -1.526319
C -0.585936 2.151032 -0.929646
C -2.065047 2.888007 0.868265
C -0.529563 3.472560 -1.423454
C -2.006255 4.210636 0.375464
C -1.243045 4.508198 -0.776206
H -0.424459 -0.594912 -0.830146
H -2.579015 0.347166 -1.758421
H -3.510809 -0.785175 -0.738172
H -2.231812 -2.272448 1.007066
H -0.456868 -2.199911 1.074470
H -3.298191 -1.690045 -3.048649
H -1.523472 -1.591070 -2.955792
H -0.256431 -3.162744 -1.210120
H -1.231556 -4.240043 -0.183056
H -3.342243 -3.366731 -1.193366
H -2.258017 -3.937135 -2.485338
H 4.242167 -0.238378 1.687205
H 4.509348 0.858384 -0.338208
H 2.780777 1.323798 -0.301849
H 2.073807 -2.106157 0.668984
H 3.722528 -2.530573 1.257203
H 3.748785 -0.353196 -2.303412
H 2.106130 -0.590044 -1.598081
H 2.327504 1.167572 2.340884
H 2.007490 -0.524645 2.844944
H -3.432505 0.401905 1.015023
H 3.770197 -2.989315 -2.537869
H 3.748233 -3.937232 -1.023860
H 2.223920 -3.201300 -1.636056
H -0.011395 1.366248 -1.432884
H -2.636890 2.654697 1.772222
H 0.073446 3.694203 -2.311375
H -2.550367 5.007753 0.894633
H -1.197539 5.533445 -1.160253


