%chk=000057729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057729

0 1
 O    2.574300      3.6499999E-02  0.9575000    
 O   -1.364400      0.7326000      7.9499997E-02
 O  -4.8599999E-02 -0.2517000       1.691600    
 N   -4.737000     -0.7306000     -0.2191000    
 N    3.677200       4.353200     -0.8482000    
 C   -3.622600      0.1624000     -0.4995000    
 C   -5.862200     -0.4523000      -1.114900    
 C   -5.160900     -0.6076000       1.177800    
 C    3.903200      -3.172000     -0.4765000    
 C    3.110600      -2.238100      0.4354000    
 C   -2.439800     -0.1560000      0.4011000    
 C    3.626400      -4.638500     -0.1465000    
 C    3.348300     -0.7759000      8.5699998E-02
 C   -5.447500     -0.5735000      -2.571400    
 C   -6.278500      -1.584900       1.500400    
 C    2.158300       1.247400      0.4680000    
 C   0.8031000       1.547000      0.3785000    
 C    4.387700      -5.571700      -1.074500    
 C  -0.2097000      0.5881000      0.7977000    
 C    3.115300       2.172300      6.3500002E-02
 C   0.3999000       2.785400     -0.1212000    
 C    2.712300       3.410700     -0.4362000    
 C    1.354600       3.717200     -0.5285000    
 H   -3.902000       1.218600     -0.3856000    
 H   -3.254700      5.1600002E-02  -1.525500    
 H   -6.659600      -1.188800     -0.9724000    
 H   -6.291600      0.5417000     -0.9363000    
 H   -4.356500     -0.8854000       1.863700    
 H   -5.473600      0.4144000       1.425400    
 H    4.975500      -2.966300     -0.3726000    
 H    3.636700      -2.976400      -1.522400    
 H    3.380400      -2.411200       1.484600    
 H    2.037700      -2.456700      0.3617000    
 H   -2.108000      -1.191100      0.2560000    
 H   -2.660800      1.4600000E-02   1.457700    
 H    3.913800      -4.847200      0.8906000    
 H    2.553200      -4.844200     -0.2336000    
 H    4.407600     -0.5256000      0.2136000    
 H    3.070200     -0.5997000     -0.9616000    
 H   -4.855000      0.2816000      -2.911300    
 H   -4.887500      -1.495900      -2.760700    
 H   -6.341700     -0.6011000      -3.204700    
 H   -7.240700      -1.273300       1.082600    
 H   -6.048100      -2.596800       1.149400    
 H   -6.415600      -1.640600       2.586500    
 H    4.096900      -5.411100      -2.117600    
 H    5.467600      -5.413500     -0.9903000    
 H    4.176300      -6.615000     -0.8199000    
 H    4.174200       1.939000      0.1433000    
 H  -0.6492000       3.060000     -0.1933000    
 H    1.028300       4.680000     -0.9135000    
 H    4.661800       4.132200     -0.7812000    
 H    3.385300       5.251400      -1.209900    


%chk=000057729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057729

0 1
O 2.174791 -0.734227 -0.296613
O -1.837270 0.753425 -0.296596
O -0.539238 -1.179198 -0.212454
N -5.493156 0.026585 0.046533
N 3.668234 3.913714 -0.677086
C -4.244668 0.815255 -0.105817
C -6.664097 0.630619 -0.640378
C -5.767198 -0.347686 1.460421
C 4.960707 -3.328899 -0.147075
C 3.541916 -2.716331 -0.171925
C -3.034500 -0.120487 -0.223789
C 4.942328 -4.870276 -0.026976
C 3.578182 -1.191587 -0.293686
C -6.612330 0.461968 -2.170869
C -6.598625 -1.638250 1.591878
C 1.911210 0.628732 -0.391221
C 0.532529 1.036583 -0.385883
C 6.356881 -5.487190 0.003738
C -0.587447 0.072677 -0.290573
C 2.943582 1.590821 -0.488163
C 0.266381 2.432156 -0.479410
C 2.643643 2.976942 -0.581158
C 1.279704 3.392438 -0.575037
H -4.082672 1.523161 0.741624
H -4.306493 1.427115 -1.023015
H -7.571431 0.125231 -0.262497
H -6.776274 1.715062 -0.382494
H -4.793894 -0.505809 1.961309
H -6.271447 0.487178 2.011307
H 5.537191 -2.906644 0.703164
H 5.509422 -3.043800 -1.069731
H 2.992232 -2.986232 0.749425
H 2.961462 -3.127495 -1.019135
H -3.098776 -0.741730 -1.134383
H -2.940371 -0.797802 0.644491
H 4.391424 -5.155925 0.891919
H 4.369179 -5.293622 -0.876405
H 4.118339 -0.736264 0.563703
H 4.075779 -0.878332 -1.236214
H -5.727097 0.957446 -2.609682
H -6.564595 -0.609441 -2.432177
H -7.510936 0.904509 -2.640569
H -7.594750 -1.538536 1.123185
H -6.075075 -2.476447 1.100314
H -6.754409 -1.890985 2.657554
H 6.917449 -5.242857 -0.918536
H 6.939622 -5.102402 0.862140
H 6.315036 -6.588384 0.091086
H 3.991246 1.275573 -0.492671
H -0.780591 2.744475 -0.475287
H 1.029599 4.457010 -0.645952
H 4.643045 3.628188 -0.684400
H 3.457126 4.905176 -0.743032


