%chk=000153408.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153408

0 1
 O   -3.576700     -0.7825000      0.3954000    
 O   -2.837900       2.760100     -0.3243000    
 O   -3.395400       1.056400       1.838900    
 O   -5.161900       2.253100      -1.908800    
 O   -6.910300      0.3232000     -0.6854000    
 O   -6.704500      -2.319700      6.4700000E-02
 O   -4.556400      -3.067600     -8.5500002E-02
 N    2.705500     -0.3791000      0.6224000    
 N    3.241200      0.2593000     -0.3139000    
 N    8.774200     -0.5960000     -0.2927000    
 C   -3.336500       1.441900     -0.5551000    
 C   -2.944400      0.4941000      0.6006000    
 C   -4.856200       1.546300     -0.7041000    
 C   -5.496000      0.1631000     -0.7884000    
 C   -4.998600     -0.7333000      0.3384000    
 C   -1.431800      0.2601000      0.6067000    
 C   -5.358500      -2.161400      8.4399998E-02
 C  -0.6002000       1.104700       1.340500    
 C  -0.8885000     -0.7969000     -0.1215000    
 C   0.7782000      0.8916000       1.345800    
 C   0.4900000      -1.010000     -0.1161000    
 C    1.323400     -0.1657000      0.6175000    
 C    4.630100      4.4799998E-02 -0.3084000    
 C    5.168400      -1.011600      -1.036600    
 C    5.456800      0.8902000      0.4249000    
 C    7.380300     -0.3804000     -0.2978000    
 C    6.546900      -1.224800      -1.031400    
 C    6.835400      0.6772000      0.4302000    
 C    9.723400      0.4630000     -0.1403000    
 H   -2.906000       1.090800      -1.502400    
 H   -5.300800       2.141500      0.1015000    
 H   -5.286100     -0.2780000      -1.771500    
 H   -5.404400     -0.4539000       1.318000    
 H   -3.113100       3.312100      -1.076200    
 H   -4.151500       1.642500       1.686000    
 H   -6.130600       2.283900      -1.990500    
 H   -7.318100     -0.5481000     -0.8245000    
 H   -1.002500       1.938400       1.909000    
 H   -1.511100      -1.461500     -0.7138000    
 H    1.419600       1.555600       1.919700    
 H   0.9058000      -1.835000     -0.6888000    
 H   -6.961600      -3.251400     -0.1031000    
 H    4.526300      -1.673700      -1.611400    
 H    5.039900       1.715600      0.9958000    
 H    6.958800      -2.052200      -1.603500    
 H    7.456600       1.347200       1.017600    
 H    9.095400      -1.451600     -0.7342000    
 H    9.534300       1.276600     -0.8484000    
 H    10.73200      8.3999999E-02 -0.3341000    
 H    9.719000      0.8629000      0.8786000    


%chk=000153408-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153408

0 1
O -3.527146 -0.733468 0.232594
O -3.348362 2.967668 0.119017
O -3.528828 0.948595 1.904468
O -5.575396 2.415235 -1.607310
O -7.055785 0.088989 -0.857480
O -6.648271 -2.534138 -0.256112
O -4.478906 -3.308487 0.071747
N 2.755419 0.498295 0.376361
N 3.342407 -0.510338 -0.229744
N 8.997432 -0.625295 -0.495008
C -3.637920 1.636803 -0.437471
C -3.036345 0.600914 0.570354
C -5.159756 1.479034 -0.557858
C -5.595377 0.043141 -0.867234
C -4.982218 -0.869740 0.240026
C -1.511475 0.518003 0.515128
C -5.263936 -2.352839 0.026290
C -0.737771 1.553372 1.094724
C -0.855739 -0.567100 -0.124508
C 0.667191 1.509664 1.027761
C 0.547681 -0.617257 -0.189946
C 1.325162 0.428496 0.383649
C 4.760148 -0.455219 -0.249024
C 5.415094 -1.542672 -0.896155
C 5.556537 0.584926 0.316433
C 7.612134 -0.556411 -0.409933
C 6.811176 -1.597951 -0.977967
C 6.953636 0.539148 0.238961
C 9.906592 0.380842 0.051136
H -3.166134 1.509947 -1.429941
H -5.633863 1.759873 0.407181
H -5.208843 -0.279034 -1.857747
H -5.396091 -0.562309 1.223852
H -3.834859 3.633347 -0.432563
H -3.606206 1.943289 1.923303
H -6.551588 2.299445 -1.740145
H -7.394002 -0.847585 -0.850118
H -1.230448 2.393657 1.591092
H -1.457766 -1.375767 -0.546891
H 1.281980 2.302079 1.466940
H 1.065291 -1.450841 -0.673777
H -6.838845 -3.504621 -0.365306
H 4.792406 -2.334246 -1.326314
H 5.045553 1.417815 0.810005
H 7.299971 -2.443688 -1.477865
H 7.545227 1.348686 0.677965
H 9.400300 -1.426528 -0.978319
H 9.758370 1.372823 -0.421000
H 10.946966 0.067937 -0.134630
H 9.777102 0.499311 1.145279


