%chk=000126333.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126333

0 1
 O   -1.879800     -9.4999999E-02 -0.2786000    
 O   -2.003800      0.9968000       2.248800    
 O    4.490900     -0.3088000     -0.7164000    
 O   -3.489600       1.807300      -1.171700    
 N   0.1549000     -0.9224000      0.4269000    
 N   0.9037000       1.380800      0.1810000    
 N    2.106800      -1.919500     -5.9999999E-02
 N    3.222600       1.612700     -0.4282000    
 C   -1.234600     -0.7786000      0.7836000    
 C    1.056400      5.3100001E-02  0.1702000    
 C    2.241100     -0.5613000     -0.1251000    
 C   0.8409000      -2.106800      0.2740000    
 C   -3.232600     -0.4968000     -0.4515000    
 C   -1.370300     -4.3400001E-02   2.102100    
 C    3.420700      0.2239000     -0.4494000    
 C   -3.276600      -1.650400      -1.435700    
 C    2.044800       2.094000     -0.1319000    
 C   -3.995400      0.7144000     -0.9381000    
 H   -1.643300      -1.787200      0.9209000    
 H   0.3677000      -3.068900      0.4171000    
 H   -3.688100     -0.7825000      0.5048000    
 H   2.9700000E-02   1.850100      0.3943000    
 H  -0.8737000     -0.5221000       2.964400    
 H   -4.308000      -1.955400      -1.639000    
 H   -2.724400      -2.517300      -1.059700    
 H   -2.814500      -1.366800      -2.388200    
 H    1.880600       3.183000     -0.1136000    
 H   -5.080700      0.5621000      -1.071600    


%chk=000126333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126333

0 1
O -1.766980 -1.104469 -0.385494
O -2.519294 0.297624 2.175760
O 4.614800 0.405434 -0.412751
O -2.261840 1.657593 -0.514948
N 0.334566 -1.188230 0.642580
N 0.500711 1.094330 -0.394301
N 2.568201 -1.692240 0.654991
N 2.768485 1.806917 -0.874973
C -1.095518 -1.312071 0.890263
C 1.005073 -0.088468 0.100541
C 2.379594 -0.398799 0.117531
C 1.349408 -2.139045 0.953123
C -3.167020 -0.635367 -0.425572
C -1.487216 -0.399389 2.090309
C 3.368913 0.571006 -0.385176
C -3.720056 -1.087136 -1.791887
C 1.466430 1.997579 -0.865560
C -3.237480 0.891094 -0.325189
H -1.267858 -2.354124 1.249867
H 1.107808 -3.110893 1.379351
H -3.771355 -1.071177 0.393870
H -0.518903 1.287524 -0.492725
H -0.743012 -0.459804 2.921308
H -4.747495 -0.711294 -1.946109
H -3.738718 -2.188065 -1.836714
H -3.076585 -0.712317 -2.605245
H 1.054794 2.935625 -1.256585
H -4.254053 1.303165 -0.126865


