%chk=000034431.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034431

0 1
 O   0.5433000     -0.2255000      0.3545000    
 O   0.5195000     -0.5502000      -1.954200    
 O    2.420500      -3.792700      0.7630000    
 O   0.5551000      -2.638100      0.6832000    
 N    1.975600       2.069800     -1.8300001E-02
 N    1.806100      -2.706800      0.6403000    
 C   -3.493900      0.5487000      0.3937000    
 C    2.626700      0.8987000      0.1144000    
 C   -4.319700     -0.1725000     -0.5011000    
 C    1.938700     -0.2812000      0.3038000    
 C    4.034400      0.8201000      6.6900000E-02
 C   -1.525400     -0.3056000     -0.7524000    
 C   -2.098600      0.4718000      0.2544000    
 C    2.553800      -1.512500      0.4463000    
 C   -3.725700     -0.9498000      -1.508700    
 C    4.681100     -0.4193000      0.2091000    
 C   -2.337500      -1.015000      -1.632200    
 C    3.940600      -1.582600      0.3983000    
 C   -4.087900       1.326400       1.401200    
 C  -7.8800000E-02 -0.3741000     -0.8834000    
 C   -5.715100     -9.5600002E-02 -0.3616000    
 C    4.755300       2.006400     -0.1246000    
 C   -5.476000       1.391300       1.525100    
 C   -6.287900      0.6816000      0.6456000    
 C    4.087300       3.214700     -0.2617000    
 C    2.708600       3.191900     -0.2016000    
 H   -1.470200       1.041000      0.9375000    
 H   -4.341000      -1.513300      -2.207100    
 H    5.766400     -0.4847000      0.1731000    
 H   -1.906700      -1.627700      -2.420000    
 H    4.481200      -2.519300      0.5036000    
 H   -3.473000       1.889500       2.100200    
 H   -6.369300     -0.6418000      -1.038000    
 H    5.842000       1.995300     -0.1680000    
 H   -5.922700       1.996200       2.308900    
 H   -7.368500      0.7325000      0.7427000    
 H    4.628900       4.141300     -0.4105000    
 H    2.132300       4.105800     -0.3025000    


%chk=000034431-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034431

0 1
O 0.560051 -0.346504 0.278076
O 0.500701 -0.563335 -2.058100
O 2.526170 -3.357232 2.257246
O 0.866587 -3.024472 0.727230
N 1.960884 1.858650 -0.640236
N 1.960810 -2.678834 1.309981
C -3.566889 0.232683 0.556623
C 2.685154 0.797246 -0.123678
C -4.388969 0.225934 -0.638581
C 1.953554 -0.368280 0.306778
C 4.125344 0.812879 0.005983
C -1.569825 -0.157000 -0.824117
C -2.156094 0.038608 0.433952
C 2.655978 -1.447433 0.865563
C -3.758813 0.022276 -1.913104
C 4.798073 -0.307808 0.592843
C -2.384089 -0.166266 -2.008866
C 4.075485 -1.412010 1.029025
C -4.191913 0.432219 1.832954
C -0.114439 -0.364684 -0.996472
C -5.802462 0.420444 -0.508725
C 4.812277 1.981301 -0.459519
C -5.572285 0.618676 1.928391
C -6.383183 0.612820 0.747864
C 4.078859 3.039292 -0.998055
C 2.650467 2.934432 -1.060168
H -1.527358 0.039264 1.329111
H -4.380166 0.015549 -2.816054
H 5.888395 -0.287298 0.695553
H -1.893657 -0.324633 -2.974402
H 4.559983 -2.273487 1.495313
H -3.567271 0.433884 2.733947
H -6.424524 0.414580 -1.411606
H 5.904343 2.029474 -0.385154
H -6.042544 0.769195 2.905992
H -7.465299 0.759403 0.836493
H 4.570701 3.945024 -1.365172
H 2.055465 3.760144 -1.467010


