%chk=000000857.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000857

0 1
 O    2.171000      -1.444100      6.2799998E-02
 O    2.698000      0.7592000      0.1621000    
 N   0.2154000       1.542900     -0.5507000    
 C   -2.009800     -0.3828000      0.4553000    
 C  -0.4914000     -0.4731000      0.7128000    
 C   0.4101000      0.1021000     -0.3914000    
 C   -2.421200      -1.069600     -0.8473000    
 C   -2.440700       1.086600      0.4227000    
 C    1.868500     -0.1213000     -2.6200000E-02
 H   -2.518200     -0.8776000       1.292100    
 H  -0.2574000      1.0400000E-02   1.671800    
 H  -0.2455000      -1.533600      0.8586000    
 H   0.2479000     -0.3914000      -1.355600    
 H   -2.018200     -0.5639000      -1.730400    
 H   -2.077500      -2.109100     -0.8619000    
 H   -3.512500      -1.077800     -0.9435000    
 H   -1.912100       1.696300       1.162200    
 H   -2.373200       1.543400     -0.5671000    
 H   -3.505200       1.141500      0.6849000    
 H  -0.5393000       1.705800      -1.214800    
 H    1.032700       1.950000      -1.007000    
 H    3.113300      -1.588400      0.2946000    


%chk=000000857-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000857

0 1
O 1.876302 -1.621746 -0.259812
O 2.890747 0.462075 -0.258949
N 0.499721 1.782343 -0.224040
C -2.012122 -0.342464 0.467214
C -0.489450 -0.310968 0.786917
C 0.416308 0.321730 -0.320858
C -2.346160 -1.347855 -0.662213
C -2.616708 1.049678 0.162468
C 1.842332 -0.222237 -0.263110
H -2.499554 -0.714707 1.393587
H -0.308739 0.278068 1.705228
H -0.162467 -1.351377 0.970689
H 0.030802 -0.033704 -1.309301
H -1.895600 -1.041434 -1.626202
H -1.969488 -2.359487 -0.422918
H -3.438991 -1.415365 -0.818440
H -2.329354 1.791179 0.929768
H -2.284226 1.425835 -0.825536
H -3.720727 0.995415 0.128411
H -0.295093 2.305848 -0.585167
H 1.421758 2.175754 -0.426312
H 2.825408 -1.921080 -0.257425


