%chk=000015331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015331

0 1
 O   0.6505000      -1.577400     -4.1999999E-03
 O   -4.260500     -0.6611000     -6.8899997E-02
 O   -3.354800       1.417900      3.4299999E-02
 N    2.992900     -7.2400004E-02 -1.8200001E-02
 N    1.720400      0.4889000      7.3000002E-03
 C  -0.6935000      0.4117000      2.7600000E-02
 C   -1.892500     -0.5326000      3.2699998E-02
 C   0.6186000     -0.3485000      1.2200000E-02
 C    3.707600      0.3715000      -1.213200    
 C    3.725500      0.2985000       1.190800    
 C   -3.214300      0.2035000     -3.9999999E-04
 H  -0.7140000       1.055000      0.9154000    
 H  -0.7271000       1.062900     -0.8541000    
 H   -1.873800      -1.155800      0.9341000    
 H   -1.851600      -1.187900     -0.8453000    
 H    1.634400       1.501000      2.0500001E-02
 H    4.697500     -9.5399998E-02  -1.265200    
 H    3.836600       1.460000      -1.240700    
 H    3.167500      6.8499997E-02  -2.117600    
 H    4.716000     -0.1698000       1.199500    
 H    3.198900     -5.9300002E-02   2.083000    
 H    3.854700       1.383400       1.282400    
 H   -5.121700     -0.1918000     -8.8000000E-02


%chk=000015331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015331

0 1
O 0.674145 -1.611733 -0.033137
O -4.318107 -0.690919 -0.007681
O -3.410239 1.443186 0.059426
N 3.047664 0.004347 -0.009256
N 1.720050 0.493070 -0.003954
C -0.720701 0.425147 -0.005223
C -1.918576 -0.535243 -0.003660
C 0.609302 -0.353395 -0.017951
C 3.770844 0.372185 -1.244839
C 3.761290 0.316858 1.247176
C -3.238014 0.203604 0.018733
H -0.765176 1.085276 0.881919
H -0.774440 1.093975 -0.885407
H -1.876015 -1.217807 0.864658
H -1.893514 -1.201717 -0.884514
H 1.563970 1.514549 0.014066
H 4.755555 -0.126079 -1.240030
H 3.936143 1.473047 -1.352554
H 3.203829 0.010299 -2.117203
H 4.745054 -0.183016 1.228958
H 3.186315 -0.081441 2.098174
H 3.927372 1.411620 1.403861
H -5.169450 -0.175012 0.012438


