%chk=000068746.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068746

0 1
 I   0.4684000      -1.021000      -1.638000    
 I   -2.938700       3.506100      0.6409000    
 I    2.996100       3.942200      0.9145000    
 O   -6.319700      -1.996100     -3.9700001E-02
 O    3.166700      -3.647500     -0.1545000    
 O    3.349400       1.276400      -1.647900    
 O    3.645300      -2.559900       1.778700    
 N   -3.736700     -0.9134000     -6.8599999E-02
 N   -2.119500      0.6955000     -0.7871000    
 N    3.343800      0.2367000      0.4247000    
 C   -4.086200      -1.945300      0.9046000    
 C   -4.542200     -0.9162000      -1.287200    
 C   -5.583700      -1.889600       1.181600    
 C   -6.019500     -0.9053000     -0.9141000    
 C   -2.638700     -0.1363000      6.7800000E-02
 C    4.614600      -1.752200     -0.3067000    
 C   -1.924400     -0.2600000       1.396800    
 C    4.657200     -0.3570000      0.3180000    
 C  -0.9609000       1.399300     -0.4179000    
 C    1.446800       1.572400     -0.3097000    
 C   0.3017000      0.8671000     -0.6802000    
 C    6.015300      -2.340800     -0.4861000    
 C    2.775300       1.022000     -0.5794000    
 C   -1.077900       2.637000      0.2150000    
 C    3.770800      -2.666500      0.5657000    
 C    1.329400       2.809900      0.3232000    
 C   6.7199998E-02   3.342200      0.5854000    
 H   -3.831700      -2.919100      0.4681000    
 H   -3.577800      -1.889100       1.868300    
 H   -4.305200      -1.821300      -1.858500    
 H   -4.325300     -5.1899999E-02  -1.924300    
 H   -5.878400      -2.726700       1.822300    
 H   -5.862800     -0.9611000       1.694300    
 H   -6.303300      3.6499999E-02 -0.4288000    
 H   -6.634400      -1.016200      -1.812800    
 H    4.126400      -1.680400      -1.287000    
 H   -1.075700      0.3841000       1.612200    
 H   -1.545200      -1.282900       1.505100    
 H   -2.637100     -4.9300000E-02   2.203300    
 H    5.076900     -0.3864000       1.330000    
 H    5.291600      0.3037000     -0.2839000    
 H    2.815700      7.1199998E-02   1.276900    
 H    5.963000      -3.337200     -0.9379000    
 H    6.526900      -2.442300      0.4774000    
 H    6.625200      -1.703500      -1.134300    
 H  -2.5100000E-02   4.307700       1.078700    
 H    2.628200      -4.238800      0.4135000    


%chk=000068746-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068746

0 1
I 0.489863 -1.316559 -1.257961
I -3.018022 3.171552 1.113804
I 2.968183 4.110255 0.495282
O -6.716093 -1.394802 -0.505268
O 4.217703 -3.840108 0.578808
O 3.217780 1.231222 -1.966922
O 3.920952 -1.953155 1.885736
N -3.912375 -1.114884 0.081728
N -2.133746 0.320704 -0.315102
N 3.567856 0.352604 0.166253
C -4.752171 -2.022819 0.886229
C -4.408852 -0.920906 -1.300547
C -6.218176 -1.529708 0.869568
C -5.872161 -0.446497 -1.261696
C -2.770718 -0.472680 0.525712
C 4.866988 -1.722263 -0.401820
C -2.309618 -0.737639 1.953055
C 4.895104 -0.197671 -0.129113
C -1.009892 1.088390 -0.044548
C 1.457037 1.480927 -0.290746
C 0.307337 0.666688 -0.426293
C 6.275141 -2.253844 -0.777053
C 2.819268 1.012402 -0.784078
C -1.097391 2.404830 0.512933
C 4.297712 -2.462475 0.801907
C 1.292949 2.776493 0.261056
C 0.023936 3.241042 0.665453
H -4.710489 -3.040991 0.447498
H -4.389786 -2.079699 1.924233
H -4.345447 -1.884441 -1.844706
H -3.755091 -0.184320 -1.794446
H -6.883256 -2.262757 1.355536
H -6.291009 -0.553238 1.397244
H -5.930946 0.560469 -0.796007
H -6.306929 -0.413725 -2.273526
H 4.179631 -1.916122 -1.249086
H -1.367027 -0.201236 2.140796
H -2.130675 -1.814544 2.123364
H -3.052098 -0.385673 2.691708
H 5.571086 0.018529 0.718200
H 5.273229 0.317999 -1.027942
H 3.171601 0.149514 1.087492
H 6.247619 -3.337619 -0.973587
H 7.000790 -2.064436 0.035123
H 6.634887 -1.740859 -1.686136
H -0.089806 4.240499 1.088954
H 3.826920 -4.281747 1.381312


