%chk=000035426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035426

0 1
 O   -1.841400      -1.629400      0.5851000    
 O    2.220400      -2.802100     -0.8940000    
 O   -3.371100      -1.634700      -1.114700    
 N   0.9615000      -2.137900      0.9438000    
 N   -3.418300     -3.1800002E-02  0.5907000    
 C  -3.6400001E-02  -3.182400      0.8823000    
 C   -1.217500      -2.775300      2.0500001E-02
 C    4.872300      0.5145000     -0.2488000    
 C   -4.525900      0.7790000      0.2531000    
 C    2.009000      -2.039800      4.3499999E-02
 C    3.945400     -0.6148000     -0.4412000    
 C    2.885600     -0.8709000      0.3396000    
 C   -2.934900      -1.135500     -8.4700003E-02
 C   -4.854900       1.852200       1.066100    
 C   -5.261000      0.4857000     -0.8846000    
 C    4.938000       1.135000      0.9882000    
 C    5.660100      0.9339000      -1.308700    
 C   -5.947500       2.652700      0.7330000    
 C   -6.353600       1.286400      -1.217700    
 C    5.815100       2.204200       1.170400    
 C    6.537200       2.003000      -1.126400    
 C   -6.696800       2.369800     -0.4088000    
 C    6.614800       2.638100      0.1132000    
 H   0.4213000      -4.096900      0.4915000    
 H  -0.3609000      -3.362600       1.912500    
 H   -1.939000      -3.599300     -1.9099999E-02
 H  -0.8824000      -2.542700     -0.9973000    
 H   0.8662000      -1.449700       1.685000    
 H    4.165800      -1.255700      -1.291900    
 H    2.608300     -0.2470000       1.181300    
 H   -2.917200      0.2322000       1.435500    
 H   -4.277900       2.081500       1.957800    
 H   -5.056900     -0.3337000      -1.558300    
 H    4.352100      0.8177000       1.844900    
 H    5.610100      0.4504000      -2.280600    
 H   -6.214800       3.496300       1.362600    
 H   -6.938100       1.067500      -2.106700    
 H    5.879800       2.695900       2.136700    
 H    7.160000       2.341200      -1.949400    
 H   -7.547500       2.993100     -0.6683000    
 H    7.298600       3.469800      0.2554000    


%chk=000035426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035426

0 1
O -1.984642 -1.511766 0.302057
O 2.697273 -3.056864 -0.351685
O -3.665621 -1.510735 -1.350309
N 0.883610 -1.835071 0.456690
N -3.715593 -0.077205 0.542840
C -0.054908 -2.957096 0.373599
C -1.298465 -2.609192 -0.440893
C 5.279621 0.438280 -0.049585
C -4.912333 0.671650 0.355376
C 2.219530 -1.956060 0.077026
C 4.344362 -0.693944 -0.115905
C 3.018704 -0.705730 0.214582
C -3.193921 -1.061012 -0.278367
C -5.244205 1.627015 1.353108
C -5.761558 0.498811 -0.769131
C 4.900196 1.745236 0.376492
C 6.635293 0.222461 -0.431014
C -6.413626 2.403679 1.228876
C -6.928580 1.285717 -0.877311
C 5.842243 2.790882 0.418258
C 7.579869 1.269159 -0.388949
C -7.264942 2.238612 0.111402
C 7.187148 2.559064 0.036326
H 0.488761 -3.789478 -0.108322
H -0.359914 -3.286992 1.386154
H -1.985286 -3.470710 -0.520698
H -1.045201 -2.251575 -1.453814
H 0.524442 -0.939140 0.790103
H 4.750698 -1.651833 -0.473925
H 2.507916 0.193130 0.585917
H -3.171099 0.116267 1.386008
H -4.589274 1.760717 2.223795
H -5.503947 -0.238281 -1.532276
H 3.864462 1.944337 0.673884
H 6.941526 -0.777572 -0.761511
H -6.658773 3.136718 2.005258
H -7.580689 1.148433 -1.747114
H 5.533859 3.789683 0.746936
H 8.617176 1.081136 -0.686679
H -8.173589 2.841813 0.014439
H 7.917077 3.375356 0.069864


