%chk=000034506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034506

0 1
 I   0.2285000      0.2086000       2.134500    
 I  -0.2083000     -0.6782000      -3.908900    
 I    4.772000      -2.315900      -1.083300    
 O   -2.157800       1.963700      0.1496000    
 O    4.672800     -6.3500002E-02   2.963400    
 O    4.076800       1.052100       1.078200    
 N  -0.9870000      0.1974000     -0.8605000    
 C   -2.123900     -0.6237000      -1.305400    
 C   0.3435000     -0.3765000     -0.8846000    
 C   -1.149300       1.526800     -0.4105000    
 C   1.6400000E-02   2.472200     -0.6919000    
 C   -3.144700     -0.8069000     -0.2140000    
 C    1.041800     -0.4690000      0.2924000    
 C  -0.2349000       3.889600     -0.1755000    
 C    2.321100      -1.023700      0.2605000    
 C   0.8381000     -0.8016000      -2.091900    
 C    2.859100      -1.467300     -0.9477000    
 C    3.127600      -1.146800       1.519200    
 C    2.117500      -1.356300      -2.123800    
 C   -3.033800      -1.886400      0.6514000    
 C   -4.182500      0.1060000     -8.8600002E-02
 C   0.9538000       4.799000     -0.4420000    
 C   -3.979600      -2.056400       1.662400    
 C   -5.128400     -6.4000003E-02  0.9224000    
 C   -5.027000      -1.145200       1.797900    
 C    3.988100      6.5800004E-02   1.796500    
 H   -1.801100      -1.619100      -1.629200    
 H   -2.609200     -0.1105000      -2.144100    
 H   0.1569000       2.505100      -1.779600    
 H   0.9486000       2.110700     -0.2554000    
 H   -1.127100       4.309700     -0.6547000    
 H  -0.4333000       3.865900      0.9027000    
 H    2.503700      -1.342400       2.395000    
 H    3.774500      -2.028300       1.506800    
 H    2.536900      -1.703200      -3.066000    
 H   -2.220900      -2.600800      0.5558000    
 H   -4.292600      0.9376000     -0.7789000    
 H    1.853000       4.426700      5.9300002E-02
 H   0.7504000       5.807800     -6.9100000E-02
 H    1.161400       4.868300      -1.514500    
 H   -3.900300      -2.897900       2.344400    
 H   -5.947400      0.6420000       1.024100    
 H   -5.764200      -1.278200       2.584200    
 H    5.232900      0.7207000       3.147100    


%chk=000034506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034506

0 1
I -0.177660 0.350133 2.050056
I 0.065328 -0.164041 -4.100165
I 4.511711 -2.608715 -0.803819
O -2.352379 2.477984 -1.225720
O 3.944278 -0.483432 3.553509
O 3.715099 0.868698 1.676795
N -1.091111 0.533847 -1.090624
C -2.320402 -0.295231 -1.334383
C 0.168674 -0.139669 -0.980122
C -1.210534 1.940186 -1.123035
C 0.088979 2.746145 -1.072075
C -3.010818 -0.810688 -0.079150
C 0.784550 -0.410978 0.280223
C -0.153233 4.245299 -0.802579
C 2.016466 -1.118431 0.406674
C 0.851477 -0.588425 -2.146138
C 2.630945 -1.548494 -0.800880
C 2.644486 -1.381681 1.756681
C 2.069238 -1.289285 -2.067658
C -2.859661 -2.160189 0.324603
C -3.840229 0.050345 0.685537
C 1.162799 5.050428 -0.818602
C -3.512861 -2.643594 1.481391
C -4.493575 -0.430519 1.840738
C -4.330516 -1.778252 2.243558
C 3.465516 -0.199876 2.268051
H -2.026559 -1.140931 -1.981477
H -3.006305 0.359503 -1.899763
H 0.605850 2.617909 -2.046769
H 0.772568 2.328794 -0.308658
H -0.859063 4.638823 -1.556073
H -0.656694 4.359882 0.176206
H 1.883321 -1.611948 2.522744
H 3.322016 -2.253562 1.719463
H 2.576617 -1.616542 -2.976658
H -2.230255 -2.836168 -0.268981
H -3.956269 1.093253 0.368835
H 1.869715 4.681615 -0.051389
H 0.975130 6.120923 -0.618004
H 1.666259 4.975366 -1.801375
H -3.389415 -3.689851 1.783468
H -5.134440 0.240744 2.423822
H -4.841740 -2.151296 3.138382
H 4.484795 0.285819 3.881060


