%chk=000127426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127426

0 1
 I    3.226300       3.479400       1.863600    
 I    2.010600      0.4522000      -3.294900    
 I  -0.9135000      -1.106400       1.919500    
 O    1.783400       2.615800     -0.9003000    
 O    3.828200      -3.068500     -1.5600000E-02
 O    5.822700      -4.005000     -0.5546000    
 O   -3.134400       1.151300       1.117900    
 O   -3.548900      1.5300000E-02 -0.8567000    
 N    6.986300      -2.616300       1.506400    
 N   -5.144400      9.8499998E-02  0.8549000    
 C    6.172800     -0.8018000      7.0799999E-02
 C    5.791300      -2.044500      0.8902000    
 C    4.998500      0.1135000     -0.1895000    
 C    4.231300     -7.5499997E-02  -1.327100    
 C    4.712200       1.122400      0.7152000    
 C    2.845000       1.789200     -0.6654000    
 C    3.627700       1.966100      0.4756000    
 C    3.146900      0.7683000      -1.566800    
 C    5.184400      -3.135400      2.4700001E-02
 C   0.5551000       2.239100     -0.3898000    
 C   0.4532000       1.059000      0.3268000    
 C  -0.5446000       3.051300     -0.6071000    
 C   -1.905100       1.485800      0.6319000    
 C  -0.7864000      0.6795000      0.8415000    
 C   -1.784200       2.671700     -9.2399999E-02
 C   -6.225700     -0.6486000      0.3353000    
 C   -3.930700      0.3702000      0.2527000    
 C   -7.370000     -0.8105000       1.100200    
 C   -6.120200      -1.206200     -0.9291000    
 C   -8.436400      -1.549100      0.5875000    
 C   -7.186600      -1.944800      -1.441800    
 C   -8.344800      -2.116100     -0.6836000    
 H    6.942800     -0.2191000      0.5960000    
 H    6.629900      -1.091200     -0.8855000    
 H    5.088600      -1.801900       1.695800    
 H    4.478800     -0.8734000      -2.022700    
 H    5.328900       1.246800       1.601900    
 H    7.689500      -2.802100      0.7913000    
 H    7.405700      -1.933000       2.136300    
 H    1.291800      0.3983000      0.5166000    
 H  -0.4521000       3.974800      -1.170700    
 H   -2.650600       3.306100     -0.2597000    
 H    3.443100      -3.783400     -0.5659000    
 H   -5.278600      0.4828000       1.787100    
 H   -7.451800     -0.3733000       2.091500    
 H   -5.258100      -1.117800      -1.574000    
 H   -9.338200      -1.682700       1.177900    
 H   -7.116500      -2.387000      -2.431500    
 H   -9.175100      -2.691200      -1.082800    


%chk=000127426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127426

0 1
I 3.052049 3.449717 1.833566
I 2.464318 0.230492 -3.385635
I -0.851544 -1.792765 1.689893
O 1.816727 2.316855 -0.957241
O 4.201688 -2.505629 1.065659
O 5.754721 -3.417503 -0.402166
O -3.150484 0.178702 0.655359
O -4.401390 0.663923 -1.318061
N 7.674910 -2.452354 1.509991
N -5.289294 -0.485793 0.559364
C 6.744925 -0.463903 0.194992
C 6.480305 -1.675484 1.183977
C 5.489965 0.316972 -0.145844
C 4.755123 0.021177 -1.321906
C 4.994562 1.304046 0.743001
C 3.014649 1.632089 -0.675678
C 3.771708 1.952525 0.479764
C 3.534250 0.674705 -1.583978
C 5.480306 -2.629371 0.530721
C 0.587365 1.735537 -0.538286
C 0.523242 0.543885 0.216426
C -0.581352 2.425329 -0.919964
C -1.925260 0.709904 0.191351
C -0.742517 0.034012 0.569772
C -1.837545 1.914226 -0.548212
C -6.639847 -0.743199 0.187703
C -4.323272 0.167443 -0.174243
C -7.451611 -1.428627 1.130168
C -7.183863 -0.349664 -1.062789
C -8.797342 -1.716970 0.826794
C -8.533958 -0.645833 -1.349357
C -9.348560 -1.326513 -0.415942
H 7.489131 0.185946 0.692601
H 7.214057 -0.879406 -0.715732
H 6.029288 -1.280301 2.110105
H 5.137534 -0.722470 -2.028174
H 5.562768 1.562934 1.641987
H 8.029471 -3.036127 0.748210
H 8.392189 -1.966893 2.050309
H 1.435129 0.022852 0.518072
H -0.494627 3.346050 -1.502523
H -2.753055 2.428635 -0.845988
H 3.574477 -3.118575 0.591038
H -4.976585 -0.828592 1.471119
H -7.030307 -1.733816 2.096571
H -6.557096 0.172155 -1.788884
H -9.413657 -2.246295 1.561593
H -8.949563 -0.340731 -2.316137
H -10.394028 -1.550700 -0.651767


