%chk=000101446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101446

0 1
 O   0.8625000      -2.072200     -0.4992000    
 O   -3.555100     -0.7207000      0.3220000    
 N    1.540200      0.8396000     -0.3982000    
 N   -1.914600      0.9227000      0.1733000    
 N   -1.357200      -1.419700     -8.8500001E-02
 N   2.0400001E-02   2.429400     -3.3599999E-02
 C   0.3444000      0.1978000     -0.2486000    
 C  -0.5679000       1.193100     -2.7000001E-02
 C   2.9100001E-02  -1.193000     -0.2986000    
 C   -2.368300     -0.4200000      0.1501000    
 C    2.830600      0.2455000     -0.6534000    
 C    1.293800       2.181200     -0.2606000    
 C   -2.848800       2.017300      0.4057000    
 C   -1.804400      -2.808300     -0.1173000    
 C    3.548200     -8.0399998E-02  0.6194000    
 C    3.947300      -1.312300      0.9546000    
 H    2.697500     -0.6239000      -1.304300    
 H    3.421100      0.9732000      -1.222900    
 H    2.075400       2.925300     -0.3336000    
 H   -3.869100       1.651500      0.5456000    
 H   -2.830200       2.690000     -0.4573000    
 H   -2.542500       2.561400       1.304400    
 H  -0.9902000      -3.512800     -0.3008000    
 H   -2.558900      -2.915600     -0.9032000    
 H   -2.275700      -3.043100      0.8424000    
 H    3.768000      0.7388000       1.299600    
 H    4.470200      -1.485000       1.888900    
 H    3.762100      -2.164000      0.3097000    


%chk=000101446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101446

0 1
O 0.857363 -2.141479 -0.637096
O -3.532991 -0.759337 0.387943
N 1.595355 0.898350 -0.486314
N -1.900837 0.916456 0.197640
N -1.336023 -1.414637 -0.103824
N 0.000071 2.483559 -0.057167
C 0.384762 0.213678 -0.287940
C -0.567073 1.215815 -0.032088
C 0.060023 -1.187508 -0.368086
C -2.331519 -0.431094 0.174008
C 2.928011 0.268605 -0.689792
C 1.310737 2.243647 -0.333731
C -2.874792 1.993420 0.463943
C -1.823811 -2.813401 -0.131109
C 3.610394 -0.064852 0.626548
C 3.819316 -1.334194 1.052042
H 2.772082 -0.648710 -1.278907
H 3.535922 0.977809 -1.281431
H 2.067782 3.018454 -0.430033
H -3.857311 1.523627 0.614251
H -2.909644 2.689533 -0.390541
H -2.578396 2.556080 1.364775
H -0.961409 -3.456816 -0.356805
H -2.603604 -2.926626 -0.901687
H -2.262215 -3.077997 0.844764
H 3.933367 0.788971 1.239465
H 4.321628 -1.542889 2.003313
H 3.470713 -2.192662 0.466459


