%chk=000004516.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004516

0 1
 O    1.617700      0.4715000       1.979500    
 O    1.429500       1.927900      -1.260700    
 N   -2.607100     -0.5400000      8.6000003E-03
 N    1.121300     -0.6056000     -0.2719000    
 N    1.449900      0.5869000      0.5664000    
 N    1.601100       1.923700     -3.6699999E-02
 C   -1.237800      1.4700000E-02 -0.1245000    
 C  -0.2358000      -1.127200     -9.4999999E-02
 C   -3.691700      0.4768000     -6.3299999E-02
 C    2.083000      -1.709400     -0.2701000    
 C   -5.033000     -0.2187000      1.9700000E-02
 C    3.503000      -1.200600     -0.4521000    
 H   -1.200000      0.5561000      -1.076300    
 H   -1.113500      0.7157000      0.7061000    
 H  -0.3219000      -1.667300      0.8567000    
 H  -0.4675000      -1.836000     -0.8998000    
 H   -2.681900      -1.051500      0.8992000    
 H   -2.758500      -1.240900     -0.7305000    
 H   -3.551700       1.169900      0.7719000    
 H   -3.585700       1.010100      -1.013000    
 H    2.028400      -2.278000      0.6662000    
 H    1.854600      -2.399400      -1.091200    
 H   -5.843200      0.5155000     -2.9500000E-02
 H   -5.165400     -0.9242000     -0.8072000    
 H   -5.134400     -0.7719000      0.9592000    
 H    3.594200     -0.5891000      -1.356300    
 H    3.850000     -0.6113000      0.4017000    
 H    4.188200      -2.048600     -0.5578000    


%chk=000004516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004516

0 1
O 2.177243 0.908866 0.914341
O -0.624513 1.146945 -1.259032
N -2.064263 -0.394234 0.143221
N 0.675842 -0.810052 0.070056
N 1.144073 0.637992 0.150183
N 0.509898 1.589161 -0.561484
C -1.347857 -0.380009 1.460309
C -0.018075 -1.148331 1.348249
C -3.408979 0.266503 0.164350
C 1.882890 -1.666181 -0.175640
C -4.050039 0.237326 -1.231862
C 2.555576 -1.319024 -1.510071
H -1.164329 0.679538 1.717447
H -1.968460 -0.818366 2.268283
H 0.612909 -0.937899 2.240048
H -0.208748 -2.238326 1.315951
H -2.129753 -1.356781 -0.225211
H -1.215454 0.337871 -0.702150
H -4.069052 -0.217712 0.914758
H -3.246943 1.311735 0.485247
H 2.609045 -1.574392 0.659956
H 1.501893 -2.705377 -0.196908
H -5.025637 0.753479 -1.213640
H -3.402801 0.747202 -1.966433
H -4.225563 -0.799042 -1.577634
H 1.829976 -1.365945 -2.340365
H 2.987936 -0.304418 -1.478677
H 3.374988 -2.031429 -1.713991


