%chk=000118250.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118250

0 1
 O    8.014800      0.6282000       1.908700    
 O    1.377900      -2.288300      0.9557000    
 O   -1.857500      -3.711800      0.4950000    
 O  -0.5329000       3.059000      0.3110000    
 O   -6.434600     -0.7610000      0.8304000    
 O  -0.2321000       1.605300      -1.448200    
 O   -7.295200       1.342600      0.4652000    
 N    5.860700     -0.2933000       1.550200    
 N    6.703600       1.140100      1.4000000E-03
 N    1.683800     -0.9395000     -0.9473000    
 N   -1.298600      -1.193700     -0.1629000    
 N   -1.867100     -0.5822000      -1.090900    
 C    4.922000     -0.1466000      0.5288000    
 C    5.438300      0.7312000     -0.4196000    
 C    2.950800     -0.3872000     -0.7516000    
 C    3.680000     -0.7241000      0.3931000    
 C    4.739700       1.077900      -1.553800    
 C    3.474700      0.5037000      -1.714100    
 C    6.996400      0.5083000       1.243000    
 C  -0.3706000      -2.205600     -0.6744000    
 C   0.9904000      -1.830800     -0.1166000    
 C  -0.8602000      -3.565700     -0.2113000    
 C   -2.745900      0.3744000     -0.5557000    
 C   -2.313900       1.673400     -0.2877000    
 C   -4.066500      1.0400000E-02 -0.2924000    
 C   -4.955200      0.9453000      0.2383000    
 C   -3.202500       2.608200      0.2433000    
 C   -4.523200       2.244400      0.5062000    
 C  -6.2300000E-02  -4.759100     -0.6739000    
 C  -0.9407000       2.081400     -0.5534000    
 C   -6.331900      0.5660000      0.5127000    
 C   0.8036000       3.546200      0.1495000    
 C   -7.745600      -1.257200       1.121300    
 H    3.351200      -1.395100       1.170800    
 H    5.142000       1.761800      -2.291500    
 H    5.741200     -0.8771000       2.368700    
 H    2.892700      0.7558000      -2.598300    
 H    7.304200       1.780700     -0.5029000    
 H    1.211000     -0.6465000      -1.799600    
 H  -0.3387000      -2.225600      -1.772100    
 H   -4.388200      -1.003500     -0.5202000    
 H   -2.902300       3.632100      0.4505000    
 H   -5.203000       2.985000      0.9196000    
 H   0.9311000      -4.746700     -0.2204000    
 H  -0.5736000      -5.679100     -0.3763000    
 H   2.0199999E-02  -4.745300      -1.763700    
 H   0.9737000       4.327900      0.8943000    
 H   0.9314000       3.975800     -0.8485000    
 H    1.521100       2.737300      0.3165000    
 H   -8.161200     -0.7374000       1.989600    
 H   -8.396300      -1.136100      0.2503000    
 H   -7.662800      -2.322000       1.354100    


%chk=000118250-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118250

0 1
O 8.210896 -0.324813 2.363231
O 1.687963 -3.160671 0.082319
O -2.138672 -3.970355 -0.733973
O -1.120966 3.694505 -1.743095
O -5.984176 -0.829146 1.419205
O 0.062426 1.749616 -1.291792
O -6.830275 1.328662 1.664374
N 6.083521 -1.174400 1.629394
N 6.523867 0.983734 1.257350
N 1.528157 -0.890780 -0.506247
N -1.294673 -1.440134 -0.336386
N -1.585421 -0.402480 -1.054615
C 4.955439 -0.641108 0.980127
C 5.237611 0.739561 0.743015
C 2.795211 -0.402687 -0.057797
C 3.747912 -1.237793 0.591957
C 4.293541 1.557875 0.101406
C 3.070551 0.975330 -0.297487
C 7.084950 -0.190536 1.820710
C -0.364433 -2.346779 -1.072906
C 1.057474 -2.188244 -0.430335
C -0.941458 -3.784113 -1.067673
C -2.511501 0.520185 -0.468854
C -2.305043 1.917686 -0.678326
C -3.685853 0.056843 0.169463
C -4.666512 0.984733 0.585368
C -3.306327 2.833105 -0.265782
C -4.479925 2.373674 0.357894
C -0.043924 -4.895491 -1.565026
C -1.018785 2.397263 -1.251718
C -5.926663 0.551990 1.268799
C 0.121758 4.280154 -2.301625
C -7.194915 -1.355775 2.093604
H 3.524921 -2.290636 0.769019
H 4.489570 2.617617 -0.089486
H 6.208754 -2.134071 1.942918
H 2.313830 1.588815 -0.795353
H 7.029813 1.865996 1.252974
H 0.900357 -0.170779 -0.899371
H -0.281928 -2.026628 -2.137519
H -3.828392 -1.017022 0.318116
H -3.141987 3.901071 -0.428876
H -5.261200 3.067352 0.683080
H 0.759100 -5.061634 -0.823752
H -0.634472 -5.812975 -1.710200
H 0.457571 -4.612279 -2.509788
H -0.174563 5.278423 -2.650949
H 0.493088 3.660782 -3.134714
H 0.896117 4.346691 -1.518627
H -7.272837 -0.939261 3.111749
H -8.096712 -1.085087 1.519387
H -7.048884 -2.444086 2.117712


