%chk=000053214.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053214

0 1
 O  -0.2779000       1.056200     -0.2817000    
 O   -6.003500      0.9723000       1.110000    
 O   -3.563000      -2.510000      -1.092300    
 O   -5.887800      -1.608400      0.1117000    
 O   -1.522800       2.989100     -0.3971000    
 N    7.186800     -0.4151000      0.5983000    
 N    8.262800      -2.090800       1.784200    
 N    9.161600      -1.505800     -0.2270000    
 C    3.437300       1.587900     -0.4575000    
 C    4.617800      0.6146000     -0.4602000    
 C    2.106800      0.8476000     -0.3402000    
 C    5.952500       1.361000     -0.5441000    
 C   0.9250000       1.806000     -0.3796000    
 C    7.146700      0.4149000     -0.6067000    
 C   -2.613600      0.8788000     -0.1925000    
 C   -1.434800       1.774700     -0.3027000    
 C   -2.527900     -0.4018000     -0.6990000    
 C   -3.759000       1.354700      0.4128000    
 C   -4.866700      0.5131000      0.5162000    
 C   -3.635500      -1.243400     -0.5959000    
 C   -4.805000     -0.7860000      1.1800000E-02
 C    8.154800      -1.273600      0.6836000    
 C   -6.125100      0.7741000       2.517200    
 C   -3.107300      -3.528900     -0.2045000    
 C   -6.822300      -1.581200     -0.9647000    
 H    3.540300       2.290200      0.3786000    
 H    3.449700       2.180000      -1.380700    
 H    4.584000      5.5000000E-03  0.4508000    
 H    4.525800     -7.0699997E-02  -1.311600    
 H    2.074800      0.2675000      0.5906000    
 H    2.006400      0.1166000      -1.152400    
 H    6.054000       2.019200      0.3277000    
 H    5.960900       2.001100      -1.434400    
 H   0.9284000       2.367400      -1.321400    
 H   0.9856000       2.510700      0.4582000    
 H    8.061000       1.015100     -0.6859000    
 H    7.061900     -0.2113000      -1.503300    
 H   -1.630700     -0.7708000      -1.187900    
 H   -3.811300       2.365000      0.8092000    
 H    9.011900      -2.768900       1.869800    
 H    7.592500      -2.037900       2.543500    
 H    9.234300     -0.9897000      -1.096500    
 H    9.871800      -2.208800     -5.2700002E-02
 H   -6.102800     -0.2930000       2.759600    
 H   -7.085300       1.185900       2.839500    
 H   -5.323600       1.297200       3.048500    
 H   -2.085100      -3.319800      0.1264000    
 H   -3.112800      -4.480300     -0.7434000    
 H   -3.772900      -3.612700      0.6604000    
 H   -7.256000     -0.5821000      -1.073500    
 H   -7.625500      -2.287700     -0.7386000    
 H   -6.342000      -1.885800      -1.900000    


%chk=000053214-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053214

0 1
O -0.113789 0.959850 0.058159
O -6.187931 1.159667 0.499744
O -3.342560 -2.798689 -0.393932
O -5.972108 -1.664312 -0.055123
O -1.341378 2.891872 0.499390
N 7.475278 -0.490537 0.220076
N 8.742207 -2.001008 1.502793
N 9.618595 -1.328015 -0.568887
C 3.647422 1.601193 -0.276151
C 4.835526 0.679731 -0.627191
C 2.295082 0.849669 -0.265837
C 6.188073 1.421218 -0.663794
C 1.135083 1.778209 0.090341
C 7.378951 0.468064 -0.901376
C -2.497251 0.759671 0.218923
C -1.304672 1.654120 0.279133
C -2.377706 -0.633083 -0.004479
C -3.773518 1.344158 0.412248
C -4.924578 0.540122 0.354365
C -3.531037 -1.443439 -0.072474
C -4.821581 -0.854945 0.073541
C 8.554791 -1.225024 0.345175
C -6.968211 0.709772 1.676249
C -3.978283 -3.796852 0.494804
C -6.811313 -1.337939 -1.237786
H 3.825619 2.060634 0.718581
H 3.599311 2.439591 -1.003172
H 4.916766 -0.139861 0.112105
H 4.652196 0.202516 -1.613635
H 2.335925 0.016834 0.462248
H 2.108176 0.399947 -1.260105
H 6.349603 1.942848 0.300187
H 6.174432 2.193887 -1.460670
H 1.026352 2.610524 -0.629857
H 1.240363 2.212440 1.102277
H 8.311302 1.073003 -1.017020
H 7.215016 -0.061681 -1.870821
H -1.397046 -1.092983 -0.144201
H -3.863366 2.416645 0.606164
H 9.184094 -2.916027 1.420116
H 8.008705 -1.896444 2.202489
H 9.538728 -0.874948 -1.474538
H 10.545370 -1.601504 -0.249832
H -7.151427 -0.379094 1.636478
H -7.918088 1.263169 1.624519
H -6.431655 0.969980 2.608166
H -3.556887 -3.717915 1.515633
H -3.716866 -4.772684 0.058197
H -5.071827 -3.660927 0.521510
H -7.151508 -0.288522 -1.191021
H -7.667760 -2.027159 -1.186663
H -6.235419 -1.513841 -2.164452


