%chk=000031604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031604

0 1
 O  -0.7878000      -2.728200     -0.3688000    
 O    1.508800      7.1400002E-02 -0.2360000    
 O   -2.469400       1.470700     -6.3100003E-02
 O  -0.5137000       1.284400       1.118500    
 O    4.797000       1.246600     -9.3800001E-02
 O    2.912600       2.233300     -0.6535000    
 N   -2.176800      -2.739900     -0.4071000    
 N    3.543600       1.206700     -0.2657000    
 C   -1.436000     -0.6489000      0.1080000    
 C  -0.3583000      -1.477500     -6.0899999E-02
 C    1.022100      -1.165000      4.8599999E-02
 C   -2.541200      -1.487100     -0.1191000    
 C    2.038100      -2.006500      0.4377000    
 C   -1.406300      0.7449000      0.4391000    
 C   -3.971100      -1.138100     -7.3100001E-02
 C    2.850300      1.8800000E-02 -2.6500000E-02
 C    3.225400      -1.237800      0.3888000    
 C   -2.502300       2.871900      0.2308000    
 C   -3.734800       3.480100     -0.4037000    
 H    1.945600      -3.045100      0.7237000    
 H   -4.207000     -0.5736000      0.8349000    
 H   -4.246600     -0.5295000     -0.9404000    
 H   -4.605800      -2.030800     -7.7200003E-02
 H    4.227100      -1.565400      0.6286000    
 H   -2.534600       3.014400       1.316400    
 H   -1.602400       3.348800     -0.1728000    
 H   -3.792200       4.552500     -0.1978000    
 H   -3.724700       3.327900      -1.488000    
 H   -4.641400       2.997600     -2.3800001E-02


%chk=000031604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031604

0 1
O -0.714577 -2.698455 -0.180415
O 1.653139 0.066778 -0.192551
O -2.593100 1.513068 -0.036061
O -0.563834 1.483060 1.119066
O 5.131078 0.916229 -0.140551
O 3.293753 2.169640 -0.730626
N -2.184358 -2.717903 -0.280413
N 3.855798 1.082469 -0.324044
C -1.430102 -0.549523 0.100312
C -0.306912 -1.380117 0.050698
C 1.120215 -1.193640 0.133096
C -2.564563 -1.427487 -0.124438
C 2.154823 -2.081794 0.453875
C -1.442838 0.888826 0.452627
C -4.028704 -1.100213 -0.174314
C 3.033841 -0.066515 -0.048287
C 3.383308 -1.355751 0.344290
C -2.710498 2.976377 0.271935
C -3.994579 3.464793 -0.388360
H 2.025158 -3.122918 0.740008
H -4.354441 -0.617288 0.763113
H -4.235425 -0.389393 -0.991206
H -4.612908 -2.021319 -0.329154
H 4.393611 -1.711539 0.526108
H -2.721615 3.095913 1.370420
H -1.809418 3.480717 -0.120057
H -4.124133 4.544464 -0.191523
H -3.959192 3.315018 -1.480831
H -4.875328 2.933101 0.011084


