%chk=000033373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033373

0 1
 O    2.990900      0.3484000      0.8390000    
 O   -5.341700      0.8273000     -0.4845000    
 O   -6.900200      -1.385800     -0.4055000    
 N   -5.518100      -1.457600     -0.1827000    
 C    5.102400     -0.3693000     -3.2400001E-02
 C    3.666700     -0.7684000      0.2780000    
 C    5.885500      -1.521600     -0.6550000    
 C    1.639300      0.4257000      0.6235000    
 C    1.093600       1.514200     -4.8099998E-02
 C    7.305900      -1.106100      -1.003100    
 C  -0.2834000       1.575000     -0.2620000    
 C   -1.106500      0.5466000      0.1968000    
 C   0.8244000     -0.6031000       1.083700    
 C  -0.5526000     -0.5425000      0.8697000    
 C    1.960000       2.623700     -0.5461000    
 C   -2.542000      0.6088000     -2.8400000E-02
 C   -3.384300     -0.4483000      7.1000000E-03
 C   -4.840000     -0.2672000     -0.2499000    
 H    5.593600     -2.8100001E-02  0.8874000    
 H    5.098400      0.4952000     -0.7083000    
 H    3.171600      -1.101800     -0.6434000    
 H    3.652400      -1.592200       1.000800    
 H    5.381200      -1.867000      -1.564900    
 H    5.916900      -2.368700      3.9999999E-02
 H    7.308300     -0.2825000      -1.724200    
 H    7.849900     -0.7828000     -0.1099000    
 H    7.849000      -1.946900      -1.446000    
 H  -0.7131000       2.424600     -0.7889000    
 H    1.241400      -1.450700       1.620100    
 H   -1.155800      -1.355100       1.263800    
 H    2.501200       3.086300      0.2859000    
 H    2.682100       2.242700      -1.276000    
 H    1.377600       3.410300      -1.037600    
 H   -2.937000       1.597700     -0.2510000    
 H   -3.041700      -1.459500      0.1972000    
 H   -5.144700      -2.359000      9.3000002E-02
 H   -6.934500      -1.621900      -1.348000    


%chk=000033373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033373

0 1
O 3.026164 0.476464 -0.260529
O -5.590092 0.780300 -0.044912
O -7.243089 -1.229915 0.206150
N -5.829439 -1.470851 0.191766
C 5.297902 -0.362178 -0.258580
C 3.824572 -0.763945 -0.170822
C 6.237455 -1.588098 -0.171032
C 1.630837 0.374058 -0.209079
C 0.926421 1.612545 -0.307998
C 7.727096 -1.192388 -0.257235
C -0.479136 1.571137 -0.263015
C -1.214763 0.355345 -0.123806
C 0.929227 -0.852019 -0.069505
C -0.476102 -0.856170 -0.027739
C 1.691692 2.910652 -0.456029
C -2.676780 0.419765 -0.088425
C -3.560585 -0.619868 0.041139
C -5.008319 -0.366884 0.055993
H 5.527439 0.347471 0.559199
H 5.468889 0.176686 -1.210150
H 3.546098 -1.442359 -1.004119
H 3.607575 -1.273520 0.791178
H 5.996263 -2.299056 -0.987483
H 6.053652 -2.128474 0.780062
H 7.946865 -0.680537 -1.212691
H 8.002017 -0.503769 0.563442
H 8.383422 -2.078841 -0.189471
H -1.033854 2.515065 -0.338606
H 1.470737 -1.799203 0.006490
H -0.998496 -1.813072 0.080312
H 2.378591 3.066904 0.395829
H 2.322523 2.899300 -1.363746
H 1.003770 3.770751 -0.515993
H -3.128382 1.418816 -0.176307
H -3.223226 -1.660309 0.136624
H -5.598059 -2.457087 0.286095
H -7.242187 -0.216315 0.103093


