%chk=000125702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125702

0 1
 O   -1.653200       1.948600     -0.9293000    
 O    1.387800       1.549500      0.9095000    
 O   -4.601800      -1.647600      -1.626100    
 O    4.784000     -3.7000000E-03 -0.3580000    
 O    3.122900      0.3688000      -1.899800    
 O   -5.596800      -3.170000      -3.012300    
 N   0.3286000       3.418200      4.7899999E-02
 N   -2.472600       1.582400       1.245800    
 N    3.608100       1.925500     -0.2456000    
 C  -0.8803000       3.311100      0.8543000    
 C   -1.564500       4.665400      0.7081000    
 C   -1.122300       5.139100     -0.6742000    
 C   0.3035000       4.620000     -0.7820000    
 C   -1.705200       2.204600      0.2692000    
 C    1.403400       2.556000      0.1990000    
 C    2.639300       2.914400     -0.5870000    
 C   -3.371100      0.5023000       1.076500    
 C   -3.561300     -5.7200000E-02 -0.1826000    
 C   -4.067800     -4.9999999E-03   2.171800    
 C   -4.451700      -1.122700     -0.3269000    
 C   -5.163000      -1.651100      0.7513000    
 C   -4.957200      -1.073600       2.011400    
 C    3.778400      0.7264000     -0.9266000    
 C   -6.079200      -2.773500      0.5077000    
 C   -6.202100      -3.252300     -0.7383000    
 C   -6.858500      -3.364000       1.646400    
 C   -5.458500      -2.705800      -1.886000    
 C    5.060700      -1.268200     -0.9705000    
 C    6.182300      -1.936000     -0.2304000    
 C    7.503500      -1.715500     -0.6198000    
 C    5.903900      -2.776700      0.8473000    
 C    8.546200      -2.336000      6.8300001E-02
 C    6.946800      -3.397000       1.535400    
 C    8.267900      -3.176600       1.145800    
 H  -0.6089000       3.091500       1.892600    
 H   -2.653900       4.622300      0.8015000    
 H   -1.181500       5.358500       1.467100    
 H   -1.751200       4.680200      -1.446200    
 H   -1.183300       6.224700     -0.7912000    
 H    1.019200       5.335200     -0.3625000    
 H   0.5918000       4.387700      -1.810800    
 H    3.019300       3.893300     -0.2852000    
 H    2.431100       2.887100      -1.659800    
 H   -2.400000       1.932000       2.198800    
 H    4.208700       2.099600      0.5550000    
 H   -3.058300      0.2795000      -1.078000    
 H   -3.929400      0.4219000       3.162200    
 H   -5.479600      -1.438100       2.892100    
 H   -6.869900      -4.080900     -0.9546000    
 H   -7.498600      -4.190700       1.318200    
 H   -6.185600      -3.762100       2.413300    
 H   -7.511400      -2.612000       2.102400    
 H    4.162100      -1.897200     -0.9434000    
 H    5.337500      -1.117900      -2.021500    
 H    7.733300      -1.060900      -1.456400    
 H    4.878900      -2.954600       1.161600    
 H    9.574900      -2.164000     -0.2345000    
 H    6.730200      -4.051200       2.374900    
 H    9.079800      -3.659400       1.681800    


%chk=000125702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125702

0 1
O -3.497634 3.356411 -0.202421
O 0.597351 1.770130 1.042240
O -6.412577 -0.468717 -0.242198
O 4.644882 -0.143661 -0.130583
O 4.587368 1.486375 -1.843576
O -8.449263 -1.422431 -0.759025
N -0.022479 3.559202 -0.304600
N -2.167577 1.681277 0.789931
N 2.882176 1.291181 -0.252711
C -1.204976 3.929802 0.542881
C -1.527302 5.366146 0.084063
C -1.105621 5.377457 -1.407299
C 0.174836 4.511256 -1.438624
C -2.415495 2.964168 0.325038
C 0.830600 2.552092 0.045450
C 2.093770 2.382254 -0.801633
C -3.025492 0.555909 0.755570
C -4.347456 0.600412 0.254349
C -2.496069 -0.672306 1.263199
C -5.115477 -0.580032 0.269447
C -4.616538 -1.820704 0.771213
C -3.280773 -1.829321 1.268123
C 4.074078 0.933535 -0.831450
C -5.488314 -2.990112 0.746620
C -6.767853 -2.862884 0.237498
C -4.991787 -4.319520 1.271186
C -7.312912 -1.615243 -0.285149
C 5.963261 -0.606954 -0.679892
C 6.394919 -1.804713 0.129447
C 7.208703 -1.641095 1.278444
C 5.993700 -3.111025 -0.248280
C 7.611309 -2.760763 2.039993
C 6.393672 -4.233330 0.510467
C 7.204140 -4.060043 1.656913
H -0.899749 3.866494 1.604581
H -2.598299 5.586091 0.209192
H -0.932749 6.090232 0.669444
H -1.899999 4.913615 -2.016336
H -0.919788 6.393380 -1.791684
H 1.082393 5.122761 -1.264976
H 0.298144 3.968359 -2.392473
H 2.675128 3.327524 -0.815751
H 1.817569 2.182680 -1.858046
H -1.198103 1.528935 1.143118
H 2.512173 0.806146 0.570400
H -4.772234 1.524622 -0.139061
H -1.469864 -0.698613 1.646155
H -2.858188 -2.759578 1.660255
H -7.450926 -3.716066 0.201431
H -5.769173 -5.095424 1.184938
H -4.101412 -4.661841 0.710902
H -4.698152 -4.244221 2.335114
H 5.822599 -0.846531 -1.748817
H 6.677831 0.231921 -0.603061
H 7.524272 -0.633956 1.576729
H 5.365497 -3.245998 -1.137110
H 8.241471 -2.622451 2.925526
H 6.079144 -5.238439 0.208311
H 7.518646 -4.930095 2.244286


