%chk=000128099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128099

0 1
 O    2.563900      -1.623200      0.3223000    
 O    5.240100      -2.277600     -5.2999999E-02
 O   -4.927800      0.3282000      0.3439000    
 O   -3.655500     -0.5367000      -1.348300    
 N    4.326400       1.248600     -0.7179000    
 N   -2.757300     -9.7199999E-02  0.7734000    
 C    4.927900      0.1013000     -5.1800001E-02
 C    4.648200      -1.207200     -0.7949000    
 C    4.559400       2.471200      3.8699999E-02
 C    3.159100      -1.499300     -0.9657000    
 C    3.579100       2.566900       1.204400    
 C    4.427300       3.675200     -0.8885000    
 C    1.252500      -1.245200      0.4329000    
 C   0.3959000      -1.370300     -0.6608000    
 C   0.7727000     -0.7370000       1.640100    
 C   -1.420400     -0.4791000      0.6596000    
 C  -0.9405000     -0.9873000     -0.5474000    
 C  -0.5637000     -0.3539000       1.753400    
 C   -7.259900      0.8945000      0.2247000    
 C   -6.060900      0.3445000     -0.5323000    
 C   -3.759600     -0.1441000     -0.1926000    
 C   -8.507200      0.9276000     -0.6402000    
 H    4.570100      1.0000000E-03  0.9793000    
 H    6.016100      0.2292000      2.2200000E-02
 H    5.129400      -1.187300      -1.779200    
 H    5.583800       2.490600      0.4332000    
 H    4.728100       1.330700      -1.651800    
 H    3.035000      -2.457100      -1.484800    
 H    2.707600     -0.7018000      -1.568100    
 H    2.540200       2.512700      0.8588000    
 H    3.731500       1.772900       1.941700    
 H    3.702200       3.520100       1.730600    
 H    4.606900       4.606900     -0.3409000    
 H    5.155900       3.627600      -1.705700    
 H    3.426000       3.734600      -1.330100    
 H    4.782400      -2.333600      0.8033000    
 H   0.7218000      -1.790600      -1.607800    
 H    1.436200     -0.6363000       2.494600    
 H   -1.545700      -1.120200      -1.433400    
 H  -0.9239000      4.0700000E-02   2.700100    
 H   -3.039600      0.2640000       1.681500    
 H   -7.442400      0.2846000       1.117700    
 H   -7.032800       1.903000      0.5905000    
 H   -6.266800     -0.6767000     -0.8740000    
 H   -5.838700      0.9784000      -1.398600    
 H   -9.352600       1.327400     -7.1599998E-02
 H   -8.773500     -7.7200003E-02 -0.9834000    
 H   -8.358300       1.562900      -1.519100    


%chk=000128099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128099

0 1
O 2.463353 -0.994503 0.435085
O 4.813492 -2.458087 0.287855
O -5.351424 0.016369 0.470417
O -3.928749 -0.001544 -1.411237
N 5.304341 1.153798 -0.723921
N -3.141913 -0.298123 0.808677
C 5.268111 -0.015188 0.181943
C 4.643934 -1.244190 -0.525159
C 5.244323 2.500948 -0.087819
C 3.166131 -1.022787 -0.867227
C 3.803499 2.817734 0.371113
C 5.739699 3.549751 -1.104219
C 1.068600 -0.816539 0.430701
C 0.288423 -0.626494 -0.734313
C 0.442156 -0.830602 1.700665
C -1.739012 -0.465959 0.632662
C -1.109335 -0.451975 -0.636706
C -0.948124 -0.656793 1.798777
C -7.758931 0.309465 0.443344
C -6.508262 0.251663 -0.435289
C -4.098860 -0.089043 -0.168516
C -9.025941 0.567205 -0.402566
H 4.647166 0.234307 1.060936
H 6.268982 -0.318275 0.562554
H 5.194954 -1.449776 -1.461506
H 5.912519 2.546692 0.808530
H 6.088706 1.092758 -1.386962
H 2.771362 -1.858985 -1.476319
H 3.047435 -0.056245 -1.392435
H 3.134084 2.878078 -0.506212
H 3.407161 2.037340 1.045462
H 3.770638 3.782212 0.911398
H 5.674003 4.566809 -0.679383
H 6.794050 3.368896 -1.390151
H 5.119683 3.514314 -2.019290
H 4.118979 -2.425782 0.997335
H 0.751890 -0.609446 -1.724682
H 1.055073 -0.978002 2.594999
H -1.712777 -0.304733 -1.534809
H -1.423114 -0.669469 2.787799
H -3.503615 -0.334144 1.763945
H -7.857057 -0.643225 0.996689
H -7.634816 1.109701 1.196940
H -6.556260 -0.570980 -1.173041
H -6.343164 1.197785 -0.984220
H -9.923551 0.606813 0.239345
H -9.181357 -0.233283 -1.149866
H -8.957888 1.527935 -0.946327


