%chk=000048708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048708

0 1
 O  -0.2331000     -0.7698000      -2.007400    
 O   0.2934000      0.3161000       2.465900    
 O   -1.341700      -2.722200      0.4487000    
 O   -3.447400      -2.079800     -8.8000000E-02
 O   -2.289900       2.761500      -1.372200    
 O   -1.806300       2.531900      0.8340000    
 N  -0.3948000     -0.2554000      0.2852000    
 C   -1.826700     -0.3676000      0.4798000    
 C    1.655800     -0.2405000     -0.6763000    
 C    1.812200      8.4399998E-02  0.6630000    
 C   0.2323000     -0.4648000     -0.9250000    
 C   0.4908000      7.2700001E-02   1.290000    
 C   -2.584200      0.5997000     -0.4341000    
 C   -2.304700      -1.791200      0.2464000    
 C    2.729100     -0.3137000      -1.540100    
 C    3.050400      0.3533000       1.209300    
 C   -2.181800       2.044300     -0.2229000    
 C    3.993700     -4.4500001E-02  -1.008800    
 C    4.152800      0.2856000      0.3526000    
 H   -2.052500     -0.1334000       1.527500    
 H   -3.662900      0.5391000     -0.2454000    
 H   -2.433300      0.3396000      -1.488000    
 H    2.607300     -0.5679000      -2.586400    
 H    3.173000      0.6066000       2.255600    
 H    4.868400     -9.0099998E-02  -1.652500    
 H    5.147900      0.4899000      0.7392000    
 H   -1.672900      -3.632400      0.2936000    
 H   -2.031300       3.699000      -1.243400    


%chk=000048708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048708

0 1
O -0.219438 -0.733617 -2.117882
O 0.222133 0.261696 2.461373
O -1.297046 -2.637738 0.544542
O -3.491779 -2.029495 0.088313
O -3.052043 2.898175 -1.224002
O -1.867957 2.594999 0.751558
N -0.345484 -0.163019 0.188876
C -1.790541 -0.261510 0.383919
C 1.791308 -0.265018 -0.720213
C 1.926960 0.040886 0.656273
C 0.336467 -0.426638 -1.032517
C 0.564113 0.081932 1.270878
C -2.603139 0.636794 -0.572821
C -2.303510 -1.709436 0.298019
C 2.910444 -0.382623 -1.557771
C 3.186207 0.239503 1.241306
C -2.442482 2.105763 -0.245351
C 4.189235 -0.181973 -0.975957
C 4.325003 0.124525 0.402135
H -1.960050 0.072545 1.430282
H -3.672804 0.368336 -0.491955
H -2.315723 0.455141 -1.622430
H 2.793613 -0.622118 -2.619243
H 3.278609 0.474025 2.306221
H 5.086626 -0.265599 -1.598182
H 5.325126 0.273487 0.822854
H -1.677091 -3.557092 0.511908
H -2.953159 3.858467 -0.979832


