%chk=000100584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100584

0 1
 O    2.182400       1.542900     -9.7700000E-02
 O    1.606600      -1.764000     -0.1412000    
 O   0.7753000     -0.8389000       1.769100    
 N    1.466100      0.7678000      -1.089900    
 C   0.3216000      0.1978000     -0.3766000    
 C  -0.6291000     -0.4652000      -1.384600    
 C  -0.3832000       1.303900      0.4230000    
 C   -1.934800     -0.9315000     -0.7378000    
 C   -1.690700      0.8250000       1.056900    
 C   -2.621000      0.1968000      2.4700001E-02
 C   0.9068000     -0.8345000      0.5542000    
 H  -0.1586000      -1.319800      -1.886700    
 H  -0.8815000      0.2530000      -2.177400    
 H  -0.6157000       2.151000     -0.2375000    
 H   0.2408000       1.700500       1.234300    
 H   -1.733100      -1.766000     -5.5399999E-02
 H   -2.609900      -1.313300      -1.512300    
 H   -2.196300       1.678000       1.524900    
 H   -1.498300      0.1060000       1.860000    
 H   -2.953000      0.9662000     -0.6833000    
 H   -3.518900     -0.1866000      0.5222000    
 H    1.156100       1.505700      -1.721200    
 H    3.080800       1.201500     -0.2447000    
 H    1.995800      -2.445400      0.4475000    


%chk=000100584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100584

0 1
O 2.334874 1.536389 -0.599545
O 2.063668 -0.679126 1.017311
O 0.374684 -2.180233 0.544755
N 1.461453 0.567483 -1.340063
C 0.301331 0.108163 -0.483692
C -0.779088 -0.426483 -1.465684
C -0.298656 1.222855 0.429770
C -2.102631 -0.833435 -0.772341
C -1.589440 0.764122 1.146946
C -2.655293 0.294880 0.128952
C 0.857705 -1.042124 0.376527
H -0.369472 -1.275863 -2.041453
H -0.994332 0.392068 -2.185603
H -0.530040 2.085120 -0.229024
H 0.466714 1.566783 1.145449
H -1.930137 -1.742694 -0.169533
H -2.843545 -1.095375 -1.552132
H -1.982331 1.599642 1.757222
H -1.361771 -0.062885 1.849892
H -2.961170 1.158550 -0.498205
H -3.562623 -0.055803 0.656853
H 1.088382 1.169833 -2.096104
H 2.927759 0.920373 -0.089002
H 2.392159 -1.461338 1.539204


