%chk=000031793.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031793

0 1
 O    1.545400     -0.7822000      0.4194000    
 O   -1.705500      -3.002600       1.701600    
 O   0.5933000      -2.018400       2.122900    
 N   -2.417900       1.272900      0.1529000    
 C  -0.4186000      -1.970400     -7.1099997E-02
 C   -1.089900     -0.6731000     -0.5361000    
 C   0.3342000      -2.671400      -1.216300    
 C   -1.767300      4.9600001E-02  0.6256000    
 C  -0.5877000      -3.318200      -2.248800    
 C   -1.494500      -2.903700      0.4919000    
 C   -1.544100      -4.300500      -1.582500    
 C   -2.377300      -3.627300     -0.5042000    
 C   -1.416800       2.181800     -0.4154000    
 C   -3.251300       1.871200       1.196900    
 C   0.6136000      -1.612200      0.9689000    
 C   -1.861600       3.615800     -0.7191000    
 C   -4.518800       2.480900      0.5913000    
 C   -3.273700       3.740400      -1.281800    
 C   -4.328900       3.783800     -0.1794000    
 C    2.590300     -0.3609000       1.301800    
 C    3.528700      0.5406000      0.5548000    
 C    4.619800     -3.3000000E-03 -0.1139000    
 C    3.298400       1.911800      0.5373000    
 C    5.492000      0.8347000     -0.8087000    
 C    4.170600       2.749700     -0.1576000    
 C    5.267400       2.211100     -0.8305000    
 H  -0.3266000     -4.9100000E-02  -1.012400    
 H   -1.840700     -0.8814000      -1.308700    
 H   0.9871000      -3.453200     -0.8025000    
 H   0.9976000      -1.970300      -1.739100    
 H   -1.061800      0.2852000       1.431300    
 H   -2.536600     -0.6066000       1.047500    
 H   -1.153300      -2.551200      -2.789800    
 H   1.7200001E-02  -3.848100      -2.993800    
 H   -2.204500      -4.743100      -2.336500    
 H  -0.9664000      -5.121700      -1.139800    
 H   -3.075300      -2.904500     -0.9391000    
 H   -2.966500      -4.381600      2.8400000E-02
 H  -0.5263000       2.241500      0.2249000    
 H   -1.093500       1.783200      -1.383500    
 H   -3.597000       1.098200       1.896200    
 H   -2.700000       2.598400       1.805700    
 H   -1.156500       4.036600      -1.447500    
 H   -1.763700       4.232400      0.1831000    
 H   -5.231800       2.671400       1.403700    
 H   -5.001800       1.742900     -6.3000001E-02
 H   -3.336900       4.684900      -1.836700    
 H   -3.487600       2.939900      -1.999400    
 H   -5.291400       4.058300     -0.6287000    
 H   -4.084400       4.586500      0.5278000    
 H    2.158100      0.1689000       2.160000    
 H    3.129100      -1.237600       1.682900    
 H    4.802600      -1.074300     -0.1054000    
 H    2.445300       2.341400       1.055200    
 H    6.345500      0.4154000      -1.333300    
 H    3.995200       3.821400     -0.1756000    
 H    5.946200       2.863600      -1.371900    


%chk=000031793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031793

0 1
O 1.650188 -0.576037 -0.806363
O 0.339647 -2.086844 1.839701
O 2.046500 -2.870199 -0.780404
N -1.826171 1.557705 -0.518660
C -0.276959 -2.064001 -0.547200
C -1.096677 -0.789976 -0.961269
C -0.721713 -3.299109 -1.411233
C -1.121802 0.385014 0.052327
C -2.114089 -3.854813 -1.043483
C -0.523915 -2.354425 0.962302
C -2.197592 -4.203648 0.457368
C -1.877310 -2.955196 1.323566
C -0.940113 2.378498 -1.377651
C -2.730419 2.305660 0.389607
C 1.248312 -1.907028 -0.726996
C -1.621377 3.616434 -2.007361
C -4.116991 2.567040 -0.252549
C -3.071447 3.388299 -2.506885
C -4.129734 3.609200 -1.396242
C 3.125134 -0.306179 -0.813845
C 3.490239 0.548895 0.381181
C 4.329242 1.677382 0.212408
C 3.032070 0.208082 1.680357
C 4.724097 2.450723 1.328138
C 3.421195 0.986832 2.791758
C 4.271085 2.106052 2.621745
H -0.686326 -0.430516 -1.922258
H -2.144436 -1.086195 -1.153007
H 0.036400 -4.093399 -1.282363
H -0.698521 -2.999450 -2.477217
H -0.081444 0.631015 0.358900
H -1.661900 0.066229 0.964122
H -2.909027 -3.125527 -1.297108
H -2.309355 -4.756666 -1.654498
H -3.203941 -4.580894 0.718130
H -1.475906 -5.009719 0.694909
H -2.660220 -2.189694 1.141627
H -1.873802 -3.186448 2.402579
H -0.033935 2.720489 -0.813338
H -0.566462 1.725172 -2.191057
H -2.883063 1.697609 1.301618
H -2.281633 3.268372 0.731303
H -0.977932 3.948838 -2.845828
H -1.630261 4.453879 -1.281353
H -4.823194 2.899986 0.537478
H -4.484407 1.594234 -0.634010
H -3.283188 4.098985 -3.330750
H -3.167645 2.367634 -2.926015
H -5.141685 3.619568 -1.849873
H -3.971385 4.621848 -0.967939
H 3.637892 -1.286041 -0.801357
H 3.337013 0.210122 -1.765107
H 4.676740 1.953050 -0.791445
H 2.361554 -0.648984 1.816483
H 5.375796 3.320407 1.187224
H 3.061389 0.719512 3.791660
H 4.572584 2.705724 3.488075


