%chk=000031147.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031147

1 1
 O    2.864200      -3.815800      -1.335700    
 O    6.846700      0.8685000      0.5142000    
 N    3.407100     -0.6120000      0.5254000    
 C    2.744800      0.3384000     -0.3978000    
 C    3.785000      -1.910300     -0.2030000    
 C    4.691100     -3.8999999E-03   1.109100    
 C    2.378700       1.626800      0.3284000    
 C    2.480200     -0.9762000       1.694600    
 C    1.637200       2.676400     -0.5079000    
 C   0.3224000       2.214300      -1.143500    
 C    2.523900      -2.595000     -0.6919000    
 C    5.641400      0.3384000     -2.1400001E-02
 C  -0.6902000       1.680200     -0.1272000    
 C   -2.014300       1.318900     -0.8057000    
 C   -3.077000      0.8033000      0.1691000    
 C   -4.392100      0.4190000     -0.5124000    
 C   -5.440300     -1.8700000E-02  0.5134000    
 C   -6.768000     -0.3666000     -0.1618000    
 C   -7.804800     -0.8355000      0.8586000    
 C   -9.136200      -1.150200      0.1954000    
 H    1.814200     -0.1168000     -0.7455000    
 H    3.363200      0.5143000      -1.283000    
 H    4.356200      -2.549100      0.4807000    
 H    4.404200      -1.678400      -1.073500    
 H    5.140600     -0.7566000       1.769800    
 H    4.455600      0.8559000       1.743400    
 H    3.280600       2.137300      0.6812000    
 H    1.770000       1.432900       1.216500    
 H    1.459700      -1.115900       1.327400    
 H    2.500300     -0.1680000       2.431800    
 H    2.858200      -1.887400       2.169300    
 H    2.302700       3.024000      -1.308100    
 H    1.436800       3.548900      0.1267000    
 H   0.5259000       1.447700      -1.900300    
 H  -0.1158000       3.066000      -1.678600    
 H    1.984700      -2.004900      -1.435800    
 H    1.840100      -2.858900      0.1176000    
 H    5.245200       1.107700     -0.6873000    
 H    5.943700     -0.5265000     -0.6126000    
 H  -0.2959000      0.7891000      0.3732000    
 H  -0.8693000       2.436600      0.6460000    
 H   -2.407600       2.200700      -1.326600    
 H   -1.830100      0.5548000      -1.571200    
 H   -3.271000       1.577000      0.9225000    
 H   -2.681000     -6.8000004E-02  0.7054000    
 H   -4.211600     -0.3911000      -1.229000    
 H   -4.771700       1.276300      -1.081300    
 H   -5.600800      0.7845000       1.242900    
 H   -5.068600     -0.8894000       1.067300    
 H   -6.606900      -1.153800     -0.9083000    
 H   -7.148200      0.5125000     -0.6964000    
 H    2.034100      -4.223800      -1.635900    
 H    7.426200       1.082400     -0.2370000    
 H   -7.957300     -5.9999999E-02   1.618200    
 H   -7.439400      -1.729800       1.376700    
 H   -9.545000     -0.2656000     -0.3033000    
 H   -9.862300      -1.484600      0.9430000    
 H   -9.025200      -1.944600     -0.5496000    


%chk=000031147-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031147

1 1
O 3.212466 -3.713844 -1.626604
O 6.836554 0.932894 0.963548
N 3.442973 -0.635627 0.526223
C 2.724021 0.411788 -0.374341
C 3.766437 -1.892495 -0.305574
C 4.758643 -0.083786 1.110574
C 2.400338 1.755827 0.293147
C 2.549805 -1.009474 1.709862
C 1.658717 2.695327 -0.703689
C 0.328088 2.147936 -1.279875
C 2.563946 -2.751928 -0.737597
C 5.840016 0.314055 0.091089
C -0.717821 1.725875 -0.221562
C -2.080227 1.351389 -0.849100
C -3.119103 0.846241 0.177100
C -4.488162 0.519150 -0.461300
C -5.527089 -0.015413 0.550087
C -6.899190 -0.320934 -0.092177
C -7.939419 -0.863700 0.914329
C -9.307727 -1.159980 0.263693
H 1.794844 -0.076035 -0.710083
H 3.369492 0.557925 -1.257646
H 4.455347 -2.513523 0.291801
H 4.291205 -1.564348 -1.217404
H 5.161902 -0.858524 1.784737
H 4.511489 0.801531 1.716728
H 3.322869 2.268062 0.623050
H 1.761793 1.607592 1.182986
H 1.537205 -1.243821 1.350159
H 2.503727 -0.162973 2.409030
H 2.984383 -1.883440 2.218866
H 2.341988 2.954808 -1.537365
H 1.454948 3.640949 -0.166109
H 0.518972 1.299474 -1.970842
H -0.113426 2.941503 -1.913617
H 1.799169 -2.156779 -1.278091
H 2.087364 -3.253155 0.128375
H 5.455801 1.039690 -0.655293
H 6.251824 -0.567868 -0.438481
H -0.348279 0.859018 0.371524
H -0.863070 2.553243 0.503511
H -2.488830 2.237841 -1.375741
H -1.927883 0.574683 -1.628461
H -3.258807 1.611738 0.968458
H -2.727415 -0.060239 0.686693
H -4.348009 -0.228028 -1.270633
H -4.890074 1.431385 -0.948881
H -5.662735 0.726182 1.364918
H -5.134714 -0.936795 1.030229
H -6.766735 -1.057395 -0.912481
H -7.296948 0.601262 -0.564880
H 2.581889 -4.424922 -1.902119
H 7.670819 1.125848 0.467617
H -8.070927 -0.128616 1.734531
H -7.544576 -1.787436 1.385003
H -9.737818 -0.246887 -0.189204
H -10.033491 -1.542212 1.004309
H -9.212257 -1.917641 -0.536827


