%chk=000029327.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029327

0 1
 O    2.151300      -1.275400      0.1582000    
 O   0.3828000       2.401400      0.7864000    
 O    3.096300       2.269900     -0.1709000    
 O   0.6777000      -1.142300      -1.689800    
 O    4.809200      -1.648700     -0.3418000    
 O   -2.058000      -1.140300       1.679300    
 O   -4.963400      0.6576000      -1.402900    
 N   -1.256500      0.1558000     -4.2199999E-02
 N   -3.574500     -0.2669000      0.1601000    
 N   -3.779500      0.5635000      -1.061400    
 C   0.9071000       1.320100      1.3000000E-02
 C   0.1281000      4.7899999E-02  0.3570000    
 C    2.391000       1.147100      0.3522000    
 C    2.948800     -0.1539000     -0.2368000    
 C   0.7898000      -1.183900     -0.2684000    
 C    4.373600     -0.4314000      0.2348000    
 C   -2.281500     -0.4651000      0.6694000    
 C   -4.742200     -0.8554000      0.8039000    
 H   0.7823000       1.611000      -1.035900    
 H   0.1528000     -7.1500003E-02   1.449000    
 H    2.524000       1.152300       1.441500    
 H    2.968100     -0.1043000      -1.333500    
 H   0.2852000      -2.096800      6.4099997E-02
 H    4.421200     -0.5409000       1.323300    
 H    5.060800      0.3633000     -6.9899999E-02
 H   -1.452600      0.6294000     -0.9166000    
 H   0.4856000       2.178600       1.727300    
 H    2.707000       3.068900      0.2239000    
 H   0.6492000     -0.2208000      -1.989800    
 H    4.190000      -2.344800     -6.3000001E-02
 H   -4.458000      -1.438100       1.684000    
 H   -5.247200      -1.517100      9.3800001E-02
 H   -5.419400     -5.5300001E-02   1.117300    


%chk=000029327-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029327

0 1
O 2.406108 -1.284994 -0.270522
O 0.268268 1.778458 1.659140
O 2.886001 2.260218 0.775982
O 0.624538 -0.934559 -1.870104
O 5.073953 -0.927081 -1.164829
O -2.176529 0.505394 1.855250
O -4.781181 -0.849525 -1.674312
N -1.222356 -0.416543 -0.068819
N -3.576004 -0.168176 0.093322
N -3.607762 -0.744376 -1.186826
C 0.788764 1.002919 0.530592
C 0.167039 -0.415497 0.432231
C 2.307182 0.919645 0.778297
C 2.992812 0.099127 -0.317505
C 0.983962 -1.343131 -0.508516
C 4.492778 -0.098748 -0.105280
C -2.274363 -0.003493 0.690931
C -4.800586 0.271079 0.784193
H 0.605598 1.544013 -0.420847
H 0.185005 -0.860271 1.446750
H 2.465599 0.427497 1.763931
H 2.798619 0.533157 -1.316648
H 0.724976 -2.405135 -0.337081
H 4.670479 -0.543354 0.897012
H 4.999388 0.876190 -0.161808
H -1.370072 -0.683662 -1.050213
H -0.638891 1.444133 1.932337
H 2.310033 2.815761 1.365401
H 1.069446 -1.529293 -2.524465
H 4.581266 -1.787896 -1.166783
H -4.502809 0.682522 1.758395
H -5.483022 -0.585658 0.916353
H -5.319138 1.035181 0.180041


