%chk=000103898.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103898

0 1
 O   -2.057200       1.591000     -0.8515000    
 O   -4.368300      0.2708000      0.7127000    
 O   -2.652500       4.308100      -1.132300    
 O   -6.048700       1.752600      0.1842000    
 O    5.662800      -2.425100      0.1894000    
 N  -8.0600001E-02  0.5719000     -2.5699999E-02
 N    1.997400       1.379400     -0.1558000    
 N   0.4122000      -1.794300      0.2237000    
 N    2.817600      -2.207400      0.2216000    
 N    4.411400     -0.4442000     -4.4000000E-03
 C   -3.496900       1.353100       1.032700    
 C   -2.139800      0.7864000       1.382400    
 C   -1.538500      0.5573000      3.3000000E-03
 C   -3.218500       2.173100     -0.2226000    
 C   -2.906700       3.631000      8.5900001E-02
 C   0.7560000     -0.5060000      7.5900003E-02
 C   0.7156000       1.680900     -0.1639000    
 C    2.037000      1.5799999E-02 -6.3999998E-03
 C   -5.617400      0.6161000      0.3010000    
 C    3.091000     -0.8890000      7.2099999E-02
 C   -6.422300     -0.5951000      1.7000000E-03
 C    1.514400      -2.572800      0.2871000    
 C   -7.789600     -0.5484000      0.1817000    
 C   -5.778200      -1.729600     -0.4477000    
 C    5.583900      -1.208600      5.6100000E-02
 C   -8.545800      -1.686100     -9.9600002E-02
 C   -6.534500      -2.867400     -0.7292000    
 C   -7.918400      -2.845500     -0.5552000    
 C    6.852100     -0.4376000     -2.6400000E-02
 C    7.976000      -1.057900     -0.5301000    
 C    6.863000      0.8729000      0.4028000    
 C    9.166100     -0.3344000     -0.6078000    
 C    8.053100       1.596400      0.3249000    
 C    9.204500      0.9926000     -0.1804000    
 H   -3.933100       1.925400       1.858800    
 H   -2.179700     -0.1397000       1.964300    
 H   -1.557300       1.526200       1.944200    
 H   -1.866000     -0.4010000     -0.4177000    
 H   -4.001600       2.129500     -0.9841000    
 H   -2.013300       3.724900      0.7114000    
 H   -3.752100       4.114000      0.5857000    
 H   0.3111000       2.679100     -0.2612000    
 H   -2.458300       5.234700     -0.9103000    
 H    1.332800      -3.635500      0.4070000    
 H    4.493600      0.5563000     -0.1616000    
 H   -8.289100      0.3472000      0.5389000    
 H   -4.704400      -1.768100     -0.6046000    
 H   -9.623300      -1.669600      3.6400001E-02
 H   -6.046700      -3.769400      -1.087100    
 H   -8.507400      -3.731200     -0.7749000    
 H    7.961900      -2.088100     -0.8729000    
 H    6.003400       1.369400      0.8404000    
 H    10.06250     -0.8039000      -1.002200    
 H    8.086200       2.627000      0.6663000    
 H    10.13160       1.555400     -0.2391000    


%chk=000103898-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103898

0 1
O -2.035803 0.487370 -1.528812
O -4.513524 -0.287794 0.261858
O -1.457788 3.260194 -1.127875
O -5.511711 1.683420 1.004929
O 6.205431 -1.810107 1.170928
N 0.056926 -0.265826 -0.631862
N 2.076148 0.792502 -0.913511
N 0.827854 -2.227890 0.704291
N 3.261274 -2.155569 1.108683
N 4.618779 -0.337794 0.228563
C -3.194829 0.334376 0.566196
C -2.139368 -0.791350 0.527345
C -1.388271 -0.601170 -0.822630
C -2.782660 1.322703 -0.550174
C -1.953866 2.485086 0.014889
C 1.006216 -1.061236 0.019976
C 0.753892 0.824514 -1.183466
C 2.245005 -0.386688 -0.166228
C -5.631150 0.520301 0.540466
C 3.397460 -0.991665 0.410539
C -6.914625 -0.162828 0.228768
C 2.006747 -2.700243 1.215417
C -8.121792 0.534881 0.497817
C -6.957732 -1.468959 -0.326171
C 5.923086 -0.707110 0.635301
C -9.362638 -0.070978 0.216567
C -8.202595 -2.069645 -0.606628
C -9.405171 -1.373749 -0.336109
C 6.975821 0.338384 0.346106
C 8.325704 -0.099280 0.328724
C 6.690606 1.713083 0.127054
C 9.370031 0.812411 0.075667
C 7.738503 2.626436 -0.121726
C 9.079099 2.178433 -0.154531
H -3.277014 0.834057 1.546956
H -2.635690 -1.772573 0.569399
H -1.445191 -0.732717 1.379319
H -1.440117 -1.491107 -1.471488
H -3.639771 1.726777 -1.109616
H -1.109742 2.111270 0.633574
H -2.628822 3.090240 0.655381
H 0.230322 1.602474 -1.736787
H -1.072834 4.112902 -0.804992
H 1.946538 -3.632867 1.783732
H 4.526443 0.519815 -0.326613
H -8.063697 1.542198 0.923253
H -6.021978 -1.995096 -0.533372
H -10.293296 0.467209 0.425081
H -8.237562 -3.076723 -1.035489
H -10.370309 -1.843736 -0.555582
H 8.526152 -1.157902 0.523641
H 5.664799 2.097610 0.184464
H 10.407724 0.462230 0.058267
H 7.509869 3.685652 -0.281648
H 9.890117 2.888674 -0.349939


