%chk=000072840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072840

0 1
 O   -6.015500      -2.276600       1.546400    
 O   -6.525300      -2.358400     -0.5872000    
 N  -0.8881000       2.050500      0.1116000    
 N   -1.674600       1.557400     -0.8646000    
 N   -3.493500      0.2127000      -1.574800    
 N   -5.812500      -1.933000      0.3554000    
 C    4.551100     -0.1686000      0.1832000    
 C    4.201300       1.322500      0.1435000    
 C    6.034200     -0.4550000     -6.0800001E-02
 C    2.732300       1.670400      0.4068000    
 C    6.326500      -1.955900      6.9999998E-04
 C    2.432800       3.168400      0.2943000    
 C    7.813200      -2.241400     -0.2097000    
 C   0.9840000       3.506700      0.6408000    
 C    8.103100      -3.733500     -0.1817000    
 C   3.0999999E-02   2.848400     -0.3212000    
 C   -2.723300      0.6742000     -0.5642000    
 C   -2.901100      0.3302000      0.7663000    
 C   -3.936100     -0.5440000       1.079600    
 C   -4.750100      -1.040200      6.7299999E-02
 C   -4.489500     -0.6348000      -1.231800    
 H    3.950500     -0.6947000     -0.5691000    
 H    4.259700     -0.5741000       1.160100    
 H    4.822000       1.849200      0.8795000    
 H    4.484700       1.719600     -0.8396000    
 H    6.327400     -6.0899999E-02  -1.041200    
 H    6.635400      6.8999998E-02  0.6920000    
 H    2.111100       1.113400     -0.3045000    
 H    2.459300       1.318500       1.409300    
 H    6.011600      -2.353700      0.9732000    
 H    5.739000      -2.475000     -0.7663000    
 H    2.657300       3.504200     -0.7256000    
 H    3.094900       3.724300      0.9687000    
 H    8.401900      -1.744800      0.5703000    
 H    8.138700      -1.831100      -1.172800    
 H   0.7488000       3.202800       1.666400    
 H   0.8348000       4.588800      0.5623000    
 H    7.554700      -4.254800     -0.9728000    
 H    7.817200      -4.170600      0.7804000    
 H    9.171800      -3.915000     -0.3331000    
 H   0.1511000       3.098500      -1.391400    
 H   -1.540000       1.810400      -1.836700    
 H   -2.279200      0.7037000       1.572700    
 H   -4.081500     -0.8186000       2.121100    
 H   -5.078200     -0.9765000      -2.077900    


%chk=000072840-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072840

0 1
O -6.253607 -2.317323 1.470834
O -6.714880 -2.325192 -0.770048
N -0.939736 2.084740 0.102158
N -1.799812 1.561262 -0.852332
N -3.582215 0.265566 -1.552530
N -6.019672 -1.938780 0.253046
C 4.635361 -0.135789 0.254643
C 4.284374 1.361246 0.103081
C 6.103794 -0.460612 -0.102509
C 2.812212 1.677342 0.451177
C 6.451938 -1.958183 0.050450
C 2.464149 3.174627 0.304208
C 7.919465 -2.286114 -0.309602
C 0.984844 3.502767 0.657708
C 8.257351 -3.784541 -0.153420
C 0.008740 2.890967 -0.311846
C -2.822132 0.699394 -0.491725
C -3.054917 0.305566 0.861527
C -4.115934 -0.569988 1.113843
C -4.903364 -1.020728 0.021970
C -4.605150 -0.581341 -1.291056
H 3.960964 -0.737610 -0.389969
H 4.432728 -0.455422 1.298194
H 4.953812 1.962857 0.753191
H 4.493238 1.682625 -0.939055
H 6.306401 -0.142643 -1.146855
H 6.779555 0.140511 0.541553
H 2.144299 1.073784 -0.197090
H 2.601972 1.355208 1.492097
H 6.252383 -2.276996 1.095026
H 5.775721 -2.560555 -0.591927
H 2.680032 3.507210 -0.732650
H 3.121700 3.773092 0.965441
H 8.594790 -1.684196 0.332442
H 8.117802 -1.967502 -1.353422
H 0.745400 3.148690 1.676740
H 0.852530 4.604834 0.649057
H 7.620428 -4.405166 -0.811786
H 8.090136 -4.121248 0.887260
H 9.312352 -3.992113 -0.410683
H 0.136738 3.148352 -1.384735
H -1.720937 1.781834 -1.857245
H -2.410713 0.690389 1.653600
H -4.353055 -0.914048 2.123930
H -5.206186 -0.924174 -2.137789


