%chk=000125620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125620

0 1
 O   -1.805500       2.862300      -1.929600    
 O   -2.254200       4.518000      0.3222000    
 O   0.2809000       4.363200     -0.7978000    
 O   -3.438700     -0.4046000      -2.158300    
 N   -1.925100      6.4199999E-02  0.4124000    
 N   -2.413800     -0.9765000       2.313900    
 N   -4.253300      -2.260600       1.387500    
 N   -4.720200      -1.899800     -0.9600000    
 N   -5.963200      -3.396200      0.3472000    
 C   -1.219800      0.9765000     -0.5209000    
 C   -1.979700       2.317900     -0.6180000    
 C   0.2799000       1.090100     -0.2054000    
 C   -1.517200       3.305300      0.4497000    
 C  -1.8400000E-02   3.580300      0.3586000    
 C   0.8051000       2.316900      0.2651000    
 C    1.154300     -3.8100000E-02 -0.3606000    
 C    2.521600      8.5100003E-02  4.9999999E-03
 C    2.161400       2.407400      0.6088000    
 C    3.018600       1.311600      0.4966000    
 C    3.416100      -1.015800     -0.1170000    
 C   -2.974000     -0.7460000      0.1230000    
 C   0.7439000      -1.292400     -0.8666000    
 C   -1.618000     -0.1008000       1.732200    
 C    2.955600      -2.253500     -0.6147000    
 C    4.776100     -0.8832000      0.2565000    
 C    4.367300       1.427400      0.8591000    
 C    1.618300      -2.375100     -0.9884000    
 C   -3.249400      -1.370500       1.312500    
 C    5.235000      0.3436000      0.7433000    
 C   -3.694300     -0.9685000      -1.100700    
 C    3.842800      -3.334100     -0.7304000    
 C    5.642200      -1.979600      0.1319000    
 C    5.177400      -3.197200     -0.3582000    
 C   -4.951800      -2.477300      0.2011000    
 H   -1.275500      0.4982000      -1.506000    
 H   -3.061400       2.165400     -0.5148000    
 H   -1.741500       2.893800       1.441500    
 H   0.2850000       4.170100       1.232400    
 H    2.551500       3.360300      0.9662000    
 H  -0.2807000      -1.461300      -1.187400    
 H   -2.182600       2.228300      -2.563100    
 H  -0.8243000      0.4360000       2.233800    
 H   -3.197300       4.300300      0.4155000    
 H  -0.2725000       5.162000     -0.7584000    
 H    4.760100       2.369100       1.238300    
 H    1.234300      -3.314000      -1.382300    
 H    6.275000      0.4719000       1.035800    
 H    3.500900      -4.293600      -1.112800    
 H    6.689300      -1.894100      0.4150000    
 H    5.856300      -4.039700     -0.4516000    
 H   -4.506100      -2.755300       2.236400    
 H   -6.556000      -3.651900     -0.4350000    
 H   -6.147600      -3.843500       1.238400    


%chk=000125620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125620

0 1
O -2.558767 2.642289 -1.539718
O -2.191092 4.633355 0.024652
O 0.253479 4.194599 -1.154455
O -3.878301 0.312409 -1.836030
N -1.773421 -0.144653 0.474653
N -2.197187 -1.644912 2.151067
N -4.328297 -2.499240 1.198514
N -5.055566 -1.471751 -0.868800
N -6.308996 -3.189164 0.090031
C -1.162214 0.941431 -0.363151
C -2.087200 2.204103 -0.227507
C 0.329664 1.109259 -0.074461
C -1.461262 3.437856 0.468333
C 0.041591 3.647583 0.195754
C 0.864606 2.377249 0.274998
C 1.215306 -0.011834 -0.230765
C 2.616841 0.135272 0.086636
C 2.234602 2.510404 0.584367
C 3.123547 1.412711 0.524035
C 3.521017 -0.976557 -0.040941
C -2.992715 -0.772182 0.152363
C 0.772891 -1.303170 -0.725883
C -1.346902 -0.691000 1.672251
C 3.041232 -2.250662 -0.512692
C 4.916205 -0.822107 0.296062
C 4.526362 1.544121 0.855157
C 1.645765 -2.367051 -0.865091
C -3.199416 -1.686092 1.200598
C 5.387740 0.468644 0.751267
C -3.964766 -0.582838 -0.921418
C 3.947120 -3.339486 -0.632185
C 5.788370 -1.936384 0.166837
C 5.306787 -3.181518 -0.292151
C -5.209695 -2.359020 0.120395
H -1.284689 0.602438 -1.409954
H -2.967520 1.896749 0.374479
H -1.606297 3.339298 1.560623
H 0.414758 4.382271 0.942351
H 2.620183 3.501660 0.849952
H -0.271553 -1.439556 -1.019016
H -3.147252 1.891347 -1.878198
H -0.419268 -0.399203 2.154784
H -2.687124 4.330662 -0.796867
H -0.484895 4.853715 -1.283333
H 4.892663 2.522340 1.186859
H 1.283802 -3.325490 -1.255410
H 6.448624 0.577360 1.004905
H 3.578112 -4.306017 -0.994403
H 6.847121 -1.818555 0.425532
H 5.994264 -4.028759 -0.387761
H -4.479588 -3.151723 1.970291
H -6.948135 -3.061549 -0.691354
H -6.493730 -3.906651 0.785699


