%chk=000147129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147129

0 1
 O    4.094800     -0.6795000       1.214200    
 O   -2.688100      0.5323000       1.846800    
 N    6.508000     -4.1299999E-02  3.8899999E-02
 N    3.019500     -0.1780000     -0.8116000    
 N   -3.337900     -9.5799997E-02 -0.3185000    
 C    5.392400     -0.4621000     -0.8081000    
 C    6.275400       1.305700      0.5584000    
 C    7.764200     -9.0999998E-02 -0.7086000    
 C    4.110800     -0.4612000      7.1000000E-03
 C    7.425400       1.759800       1.441300    
 C    8.052600      -1.498000      -1.204200    
 C   -4.752100     -6.2399998E-02 -0.2445000    
 C    1.658400     -8.5699998E-02 -0.4350000    
 C   -5.421500       1.112800     -0.5489000    
 C   -5.440900      -1.205600      0.1301000    
 C   -1.005600      9.4800003E-02  0.3011000    
 C   0.7078000      0.2075000      -1.398500    
 C    1.305800     -0.2906000      0.8887000    
 C   -2.404300      0.1906000      0.6874000    
 C  -0.6339000      0.2985000      -1.027800    
 C  -3.5799999E-02 -0.1997000       1.259400    
 C   -6.814100       1.145600     -0.4766000    
 C   -6.833500      -1.172900      0.2024000    
 C   -7.520000      2.7000001E-03 -0.1010000    
 C   -4.693400       2.353500     -0.9540000    
 C   -4.733900      -2.480000      0.4613000    
 H    5.499700      -1.497200      -1.149300    
 H    5.298900      0.1845000      -1.689400    
 H    6.138000       2.031600     -0.2539000    
 H    5.376800       1.354400       1.180800    
 H    7.767500      0.6084000      -1.554000    
 H    8.612200      0.1645000     -6.5399997E-02
 H    7.124500       2.652900       2.001000    
 H    8.312100       2.042700      0.8657000    
 H    7.701800      0.9956000       2.176000    
 H    9.089700      -1.558400      -1.553700    
 H    7.421900      -1.780400      -2.052700    
 H    7.933200      -2.241500     -0.4086000    
 H    3.198700     -2.3100000E-02  -1.801300    
 H   -2.998200     -0.5639000      -1.155600    
 H   0.9878000      0.3744000      -2.434900    
 H    1.995200     -0.5232000       1.686500    
 H   -1.353000      0.5599000      -1.799000    
 H  -0.3062000     -0.3669000       2.299000    
 H   -7.365200       2.053100     -0.7086000    
 H   -7.399600      -2.053600      0.4939000    
 H   -8.604400      2.8400000E-02 -4.4300001E-02
 H   -4.046600       2.156900      -1.815700    
 H   -5.382200       3.154100      -1.244900    
 H   -4.085800       2.727300     -0.1234000    
 H   -5.436600      -3.295800      0.6631000    
 H   -4.114500      -2.351900       1.355000    
 H   -4.102200      -2.798700     -0.3745000    


%chk=000147129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147129

0 1
O 4.162694 -0.074948 1.261304
O -2.881700 0.848489 1.739358
N 6.677216 0.107048 -0.193801
N 3.044174 -0.066241 -0.805195
N -3.455317 -0.116462 -0.320813
C 5.469062 -0.420997 -0.821843
C 6.713736 1.591963 -0.142265
C 7.927065 -0.518481 -0.692552
C 4.186549 -0.155911 0.004542
C 7.606664 2.131616 0.990510
C 8.096902 -1.983500 -0.245255
C -4.885788 -0.113429 -0.185371
C 1.682766 0.048211 -0.418376
C -5.598281 1.097338 0.059364
C -5.567457 -1.356209 -0.361367
C -1.090148 0.253403 0.209609
C 0.708085 0.094790 -1.453387
C 1.262900 0.125714 0.939322
C -2.533974 0.367349 0.618096
C -0.659598 0.195337 -1.142657
C -0.108298 0.231533 1.232686
C -7.010950 1.025974 0.159430
C -6.977851 -1.376343 -0.271336
C -7.700402 -0.193408 -0.001516
C -4.896882 2.432784 0.183507
C -4.792892 -2.637522 -0.620325
H 5.564283 -1.520717 -0.906898
H 5.311446 -0.038574 -1.871059
H 7.033751 2.026753 -1.124464
H 5.681848 1.942659 0.042278
H 8.006585 -0.450857 -1.809295
H 8.769750 0.067008 -0.285343
H 7.549686 3.235316 1.027922
H 8.669153 1.859198 0.856218
H 7.263797 1.724693 1.956585
H 9.087585 -2.364038 -0.555688
H 7.336724 -2.654135 -0.686509
H 8.017115 -2.052535 0.853023
H 3.215347 -0.099297 -1.814418
H -3.074657 -0.710910 -1.060914
H 1.025079 0.062807 -2.503945
H 2.011543 0.104413 1.732651
H -1.381659 0.273251 -1.964106
H -0.447099 0.305833 2.271209
H -7.570785 1.948606 0.352267
H -7.507952 -2.327406 -0.399065
H -8.792867 -0.221842 0.075487
H -4.103653 2.545072 -0.579193
H -5.612332 3.264629 0.067694
H -4.400211 2.519994 1.167079
H -5.466951 -3.510047 -0.603883
H -4.008456 -2.797176 0.142906
H -4.291745 -2.636695 -1.610612


