%chk=000020778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020778

0 1
 S  -0.4904000       2.972000      0.6536000    
 N    2.054100      -1.269400      0.4210000    
 N  -0.2012000      -1.447400      0.1125000    
 N   0.8519000      0.6692000      0.5228000    
 N   -1.523700      0.5526000      0.2060000    
 N   -2.524500      -1.530100     -0.1929000    
 N   -3.825400     -0.9301000     -0.2789000    
 N   -4.818100     -0.4915000     -0.3473000    
 C    3.228200     -0.5025000      1.1900000E-02
 C    4.494500      -1.339200      0.1878000    
 C    3.081800     -4.4700000E-02  -1.438600    
 C   0.8499000     -0.6561000      0.3493000    
 C   -1.359900     -0.7714000      5.3500000E-02
 C  -0.3750000       1.208200      0.4373000    
 C   0.5578000       3.580400     -0.6979000    
 H    3.368000      0.3901000      0.6376000    
 H    5.383700     -0.7668000     -9.7400002E-02
 H    4.617400      -1.650900       1.231500    
 H    4.465300      -2.246100     -0.4273000    
 H    3.999600      0.4524000      -1.774000    
 H    2.268200      0.6716000      -1.588500    
 H    2.904600     -0.8926000      -2.111200    
 H   -2.392000      -2.528300     -0.3061000    
 H   0.5340000       4.673100     -0.7089000    
 H   0.1897000       3.210200      -1.658500    
 H    1.591400       3.253600     -0.5556000    


%chk=000020778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020778

0 1
S -1.143976 2.870093 0.046340
N 1.981187 -1.276965 -0.324871
N -0.325508 -1.728111 -0.076642
N 0.495768 0.635866 -0.142798
N -1.799650 0.210840 0.092130
N -2.776590 -1.731668 0.177869
N -3.772315 -0.737993 0.286999
N -3.191716 0.447585 0.237343
C 3.153805 -0.377938 -0.452104
C 4.291504 -0.952661 0.417639
C 3.557136 -0.320472 -1.946581
C 0.780721 -0.801322 -0.187952
C -1.498400 -1.178273 0.049924
C -0.711485 1.109683 -0.012990
C 0.596456 3.567940 -0.115345
H 2.912593 0.652611 -0.115074
H 5.199692 -0.327594 0.330383
H 3.993029 -0.992010 1.480272
H 4.532660 -1.980794 0.094255
H 4.477089 0.279641 -2.073034
H 2.754263 0.133789 -2.554641
H 3.744762 -1.340124 -2.327852
H -3.041902 -2.713864 0.191058
H 0.471713 4.661196 -0.109973
H 1.043262 3.223462 -1.057891
H 1.205802 3.233384 0.735234


