%chk=000001522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001522

0 1
 O    4.684400      -1.971700      0.7448000    
 N   -2.018900      0.2745000      3.0200001E-02
 N  -0.3457000      -1.214300     -0.1300000    
 N    2.558400     -0.3491000     -0.1810000    
 N  -0.7059000       2.330000      0.1167000    
 N    1.685900       1.870500     -1.6000000E-03
 C   0.1647000      5.6800000E-02 -6.5099999E-02
 C  -0.8503000      0.9963000      3.4200002E-02
 C   -1.655300      -1.068900     -7.1999997E-02
 C    1.470900      0.5363000     -8.1799999E-02
 C   -3.340200      0.7090000      0.1083000    
 C    3.922600      8.8200003E-02 -0.2027000    
 C   -2.712900      -2.025400     -9.5600002E-02
 C   -4.328600     -0.1995000      8.5600004E-02
 C   -3.991700      -1.609700     -2.0600000E-02
 C    4.863400      -1.095700     -0.3604000    
 C   0.5994000       2.672900      9.1100000E-02
 H    2.347400      -1.339700     -0.2323000    
 H   -3.524500       1.773600      0.1856000    
 H    4.151000      0.6065000      0.7362000    
 H    4.086600      0.7876000      -1.030100    
 H   -2.474500      -3.080200     -0.1742000    
 H   -5.371200      8.8200003E-02  0.1437000    
 H   -4.808600      -2.323000     -3.7300002E-02
 H    5.904200     -0.7586000     -0.3764000    
 H    4.651400      -1.649300      -1.281000    
 H   0.8072000       3.735700      0.1532000    
 H    5.298400      -2.715600      0.6210000    


%chk=000001522-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001522

0 1
O 4.636114 -2.236074 -0.038418
N -2.033030 0.269914 -0.055442
N -0.335263 -1.287584 0.265467
N 2.584440 -0.371707 0.316018
N -0.643193 2.321680 -0.271175
N 1.757849 1.828483 -0.058357
C 0.184256 0.000116 0.111935
C -0.824926 0.982129 -0.088023
C -1.682520 -1.116722 0.163213
C 1.536770 0.484150 0.125240
C -3.341049 0.708576 -0.192489
C 3.991332 0.037243 0.343572
C -2.751735 -2.056600 0.236019
C -4.365392 -0.221354 -0.118220
C -4.067846 -1.614884 0.097724
C 4.828939 -0.868547 -0.561258
C 0.679981 2.655928 -0.243979
H 2.379573 -1.367436 0.438197
H -3.474699 1.780727 -0.352564
H 4.387554 -0.026711 1.376516
H 4.045874 1.088317 0.015411
H -2.501926 -3.107328 0.401282
H -5.399152 0.116173 -0.224887
H -4.891293 -2.333683 0.153799
H 5.895765 -0.568238 -0.505359
H 4.476710 -0.792249 -1.610335
H 0.915273 3.714810 -0.386415
H 5.079194 -2.893729 -0.628972


