%chk=000099536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099536

0 1
 O   0.7179000       3.002000     -0.5074000    
 O   -3.539100     -0.4260000       1.063800    
 N   0.2845000      0.9720000     -0.1426000    
 N   -1.807700     -0.1528000     -0.4640000    
 N   0.8719000       2.069400      0.2904000    
 C    2.420200     -0.3115000     -0.1089000    
 C   0.9539000     -0.2606000      0.3072000    
 C    3.112200      -1.603100      0.3327000    
 C   -1.139600      0.9432000      0.2165000    
 C    4.554400      -1.652400     -0.1473000    
 C   -2.959000     -0.7427000      2.8500000E-02
 C   -3.469700      -1.837300     -0.8689000    
 H    2.976600      0.5324000      0.3175000    
 H    2.491400     -0.2215000      -1.200800    
 H   0.8822000     -0.3630000       1.399400    
 H   0.4639000      -1.140700     -0.1270000    
 H    2.572300      -2.469800     -6.6200003E-02
 H    3.090300      -1.681100       1.425900    
 H   -1.295000      0.8516000       1.299700    
 H   -1.655400       1.852200     -0.1192000    
 H    5.131600     -0.8149000      0.2574000    
 H    5.030600      -2.582200      0.1792000    
 H    4.606200      -1.610000      -1.240000    
 H   -1.443900     -0.4417000      -1.367200    
 H   -3.960000      -1.393600      -1.739700    
 H   -2.646100      -2.476000      -1.200600    
 H   -4.190000      -2.453300     -0.3233000    


%chk=000099536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099536

0 1
O -0.174712 2.167769 -1.678215
O -2.141228 -1.670726 0.652428
N 0.223268 0.731642 -0.013560
N -2.174606 0.376512 -0.441736
N 0.703077 1.391843 -1.118119
C 2.449974 -0.480349 -0.015471
C 1.099556 -0.243760 0.683725
C 3.287397 -1.529901 0.751375
C -1.174151 0.963281 0.443761
C 4.648323 -1.799546 0.074559
C -2.592662 -0.939902 -0.283212
C -3.628491 -1.431287 -1.286138
H 3.010676 0.469380 -0.092145
H 2.276325 -0.821091 -1.053548
H 1.270440 0.123320 1.717235
H 0.530251 -1.190235 0.764930
H 2.716627 -2.477851 0.825140
H 3.454960 -1.183512 1.791848
H -1.272151 0.502971 1.438606
H -1.337039 2.052833 0.488131
H 5.251428 -0.874379 0.012742
H 5.235015 -2.549545 0.635498
H 4.510522 -2.178641 -0.955311
H -2.436417 0.917719 -1.267651
H -4.554396 -1.697017 -0.746954
H -3.870993 -0.689269 -2.065529
H -3.256394 -2.351658 -1.767289


