%chk=000058546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058546

0 1
 O  -0.7405000     -0.7813000     -0.6102000    
 N   -3.033900      0.7773000      0.9365000    
 N   -3.867900     -0.6578000     -0.6205000    
 C    2.011000       2.554800     -0.6589000    
 C    3.132700       2.398600      0.3597000    
 C   0.9178000       1.516800     -0.4125000    
 C    3.793900       1.028600      0.2209000    
 C    1.455700      0.1222000     -0.2101000    
 C    2.802800     -0.1046000      0.1276000    
 C   0.5766000     -0.9673000     -0.3051000    
 C    3.250800      -1.419300      0.3272000    
 C    1.032300      -2.268300     -9.4400004E-02
 C    2.369300      -2.494300      0.2190000    
 C   -1.694900      -1.229200      0.3487000    
 C   -2.900400     -0.3683000      0.2121000    
 C   -4.256600       1.437000      0.5912000    
 C   -4.848700      0.4553000     -0.4311000    
 H    2.416400       2.437500      -1.672100    
 H    1.582700       3.561500     -0.5987000    
 H    2.727400       2.516700       1.372700    
 H    3.882900       3.184900      0.2203000    
 H   0.2279000       1.538300      -1.264600    
 H   0.3488000       1.795900      0.4834000    
 H    4.460800      0.8717000       1.077200    
 H    4.411000       1.015100     -0.6864000    
 H    4.293500      -1.611600      0.5683000    
 H   0.3589000      -3.116600     -0.1812000    
 H    2.727000      -3.507500      0.3772000    
 H   -1.963200      -2.269900      0.1388000    
 H   -1.307400      -1.147200       1.371400    
 H   -4.066500       2.415900      0.1414000    
 H   -4.910400       1.557400       1.459800    
 H   -5.798400      4.3299999E-02 -7.3399998E-02
 H   -5.029900      0.9509000      -1.390600    
 H   -2.363200       1.146600       1.599200    


%chk=000058546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058546

0 1
O -0.747466 -0.237955 0.041935
N -3.224186 0.796288 0.634535
N -4.239581 -0.973991 -0.448771
C 2.316846 2.692121 -0.517477
C 3.579400 2.387469 0.316941
C 1.155477 1.758598 -0.110548
C 4.062977 0.949920 0.029849
C 1.581528 0.301626 0.035390
C 2.944322 -0.087199 0.109892
C 0.582770 -0.712460 0.109889
C 3.279096 -1.460781 0.247161
C 0.912553 -2.079897 0.236156
C 2.276371 -2.446125 0.304442
C -1.832654 -1.229982 0.116458
C -3.132679 -0.472154 0.060655
C -4.568827 1.350154 0.343975
C -5.304582 0.065923 -0.202450
H 2.552161 2.550537 -1.591573
H 2.007375 3.746804 -0.390253
H 3.341005 2.497528 1.394073
H 4.385548 3.108997 0.085074
H 0.328466 1.824839 -0.841900
H 0.727109 2.103210 0.854858
H 4.875267 0.666532 0.726675
H 4.506729 0.918741 -0.987666
H 4.335126 -1.750157 0.308453
H 0.139100 -2.851653 0.279743
H 2.546630 -3.502836 0.406981
H -1.791379 -1.940387 -0.728826
H -1.755731 -1.793928 1.069104
H -4.517308 2.154545 -0.417769
H -5.047334 1.756263 1.252364
H -6.025303 -0.330475 0.537520
H -5.855432 0.262000 -1.138113
H -2.395094 1.360988 0.816022


