%chk=000023449.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023449

0 1
 I   0.1951000     -0.9609000       3.099700    
 I  -0.2076000      -1.902800      -2.916800    
 I   -6.330800     -0.8584000      0.4152000    
 I   -2.123500       3.460000     -0.5329000    
 O   -1.021400      -1.762500      0.2108000    
 O    3.723800       2.319600     -0.6478000    
 O    5.254500       1.756200      0.9221000    
 O   -5.002700       2.042100     -0.1224000    
 N    5.254200     -0.8747000      0.2946000    
 C    2.904800     -0.4813000     -0.2522000    
 C    4.313600     -2.0800000E-02 -0.4184000    
 C    2.166400     -0.8829000      -1.365200    
 C    2.325300     -0.5096000       1.016300    
 C   0.2688000      -1.340900      5.8600001E-02
 C    1.007300     -0.9393000       1.171800    
 C   0.8484000      -1.312700      -1.209900    
 C   -2.019100     -0.8091000      0.1274000    
 C    4.502000       1.427000      1.1200000E-02
 C   -1.674700      0.5115000     -0.1031000    
 C   -3.339400      -1.197700      0.2762000    
 C   -4.346300     -0.2359000      0.1921000    
 C   -2.681500       1.473500     -0.1873000    
 C   -4.017300       1.099700     -3.9700001E-02
 H    4.601200     -5.0799999E-02  -1.477500    
 H    2.624900     -0.8577000      -2.351200    
 H    2.905200     -0.1939000       1.880900    
 H    6.207700     -0.5624000      0.1132000    
 H    5.199100      -1.825900     -6.9100000E-02
 H  -0.6523000      0.8521000     -0.2242000    
 H   -3.572600      -2.244100      0.4554000    
 H    3.855100       3.234000     -0.3182000    
 H   -5.861100       1.602500      3.8999999E-03


%chk=000023449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023449

0 1
I 0.112888 -1.495734 2.954418
I -0.185628 -1.204356 -3.199904
I -6.497824 -1.086194 0.195350
I -2.621757 3.698037 0.272426
O -1.065115 -1.643325 -0.091235
O 4.247476 1.667346 -1.735610
O 5.267701 2.066672 0.312817
O -5.333261 2.030975 0.300971
N 5.260750 -0.602462 0.948573
C 3.041651 -0.581785 -0.233882
C 4.556545 -0.238748 -0.268423
C 2.296393 -0.687845 -1.431664
C 2.414726 -0.807375 1.009979
C 0.276801 -1.219423 -0.131773
C 1.042312 -1.120878 1.058209
C 0.925040 -1.005567 -1.376790
C -2.101043 -0.675244 0.012962
C 4.738985 1.273998 -0.493918
C -1.865720 0.714324 0.077120
C -3.409378 -1.197948 0.044347
C -4.487904 -0.302645 0.141055
C -2.965324 1.589017 0.172369
C -4.299845 1.106673 0.206293
H 4.976380 -0.728425 -1.174401
H 2.781035 -0.511563 -2.395840
H 3.032707 -0.752235 1.910678
H 5.770618 0.149646 1.414221
H 5.667411 -1.533559 0.995966
H -0.847154 1.108763 0.056091
H -3.554342 -2.278699 -0.006786
H 4.348263 2.651409 -1.845933
H -6.216289 1.571049 0.315817


