%chk=000087888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087888

0 1
 O    1.958800     -0.9262000      0.6602000    
 O   0.9267000       1.064500     -0.1114000    
 N   -2.218100      0.4133000     -0.9259000    
 N   -2.533000      -1.010100      0.7496000    
 C   0.7290000     -0.2095000      0.5180000    
 C  -0.2804000      -1.009900     -0.3238000    
 C   -1.711100     -0.5511000     -0.1341000    
 C    2.590100      -1.204700     -0.5822000    
 C    1.849100       1.882100      0.5964000    
 C   -3.507100      0.6009000     -0.5128000    
 C    3.875400      -1.961300     -0.3236000    
 C    1.998800       3.200800     -0.1319000    
 C   -3.678300     -0.2889000      0.5216000    
 H   0.3291000     -4.6599999E-02   1.526100    
 H  -0.2280000      -2.072200     -5.3900000E-02
 H  -3.9600000E-02 -0.9388000      -1.392300    
 H    1.955700      -1.836200      -1.210900    
 H    2.816000     -0.2794000      -1.121900    
 H    1.474900       2.062300       1.610300    
 H    2.829300       1.399300      0.6639000    
 H   -1.749700      0.9069000      -1.674900    
 H   -4.160500       1.325300     -0.9769000    
 H    4.386600      -2.197500      -1.261200    
 H    4.549100      -1.371000      0.3064000    
 H    3.673400      -2.894100      0.2133000    
 H    2.697200       3.859900      0.3913000    
 H    2.363000       3.038200      -1.151700    
 H    1.031400       3.706700     -0.2163000    
 H   -4.567800     -0.4463000       1.114100    


%chk=000087888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087888

0 1
O 2.025245 -1.047764 0.620254
O 0.850031 0.918081 -0.166521
N -1.956509 0.772149 -0.354440
N -2.860009 -1.233149 0.162757
C 0.739380 -0.381115 0.527196
C -0.339734 -1.183547 -0.223234
C -1.710050 -0.576856 -0.117733
C 2.626751 -1.479781 -0.665938
C 1.712083 1.889618 0.550661
C -3.329507 0.992297 -0.214459
C 4.091967 -1.806504 -0.380458
C 1.797778 3.152584 -0.304357
C -3.871286 -0.257717 0.102380
H 0.460864 -0.215421 1.587253
H -0.389951 -2.198884 0.203540
H -0.039076 -1.275502 -1.285158
H 2.090331 -2.374291 -1.041769
H 2.527894 -0.664606 -1.410111
H 1.266003 2.101513 1.545982
H 2.708243 1.434570 0.708262
H -1.202418 1.438188 -0.542576
H -3.784090 1.970749 -0.342064
H 4.590151 -2.170219 -1.297829
H 4.629356 -0.912192 -0.019902
H 4.169449 -2.589842 0.393117
H 2.442669 3.902835 0.188324
H 2.225462 2.923067 -1.295616
H 0.799966 3.602903 -0.452956
H -4.910991 -0.514764 0.290896


