%chk=000170081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170081

0 1
 O    5.003800     -0.7436000      1.7000001E-02
 N    1.420300      0.1637000     -0.2378000    
 N   -2.239100     -0.4297000      0.1512000    
 N   -5.866300      0.3985000     -6.6000000E-02
 C   0.2058000     -0.5458000      0.1409000    
 C   -1.022200      0.2883000     -0.2117000    
 C    2.604600     -0.6135000      0.1007000    
 C    3.896100      8.8799998E-02 -0.3252000    
 C   -3.420400      0.3642000     -0.1547000    
 C    4.100300       1.433100      0.3617000    
 C   -4.683000     -0.4041000      0.2240000    
 H   0.2121000     -0.7455000       1.219800    
 H   0.1549000      -1.511100     -0.3788000    
 H   -1.024300      0.4986000      -1.288700    
 H  -0.9762000       1.248300      0.3182000    
 H    2.641000     -0.8046000       1.181200    
 H    2.566200      -1.598300     -0.3829000    
 H    3.914000      0.2321000      -1.411900    
 H    1.410100      0.3574000      -1.238900    
 H   -2.223000     -0.6553000       1.145600    
 H   -3.445400      0.5984000      -1.226500    
 H   -3.390400       1.313600      0.3951000    
 H    5.070200       1.859200      8.1900001E-02
 H    4.112500       1.317800       1.451200    
 H    3.319900       2.151000      9.3300000E-02
 H   -4.675900     -0.6484000       1.292300    
 H   -4.739800      -1.346400     -0.3329000    
 H    4.894400      -1.586500     -0.4554000    
 H   -6.702600     -0.1447000      0.1441000    
 H   -5.904100      0.6068000      -1.063100    


%chk=000170081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170081

0 1
O 5.166702 -0.679377 -0.114442
N 1.463270 0.044391 -0.339672
N -2.262709 -0.307035 0.226673
N -5.972028 0.323047 -0.178431
C 0.202930 -0.571243 0.129325
C -1.003708 0.313508 -0.237274
C 2.692943 -0.681403 0.027584
C 3.954936 0.137468 -0.334926
C -3.495098 0.404212 -0.179115
C 4.121713 1.390945 0.523472
C -4.749169 -0.386432 0.246504
H 0.266436 -0.668686 1.232708
H 0.024997 -1.596204 -0.276343
H -1.064677 0.410318 -1.341470
H -0.828606 1.339984 0.166609
H 2.687484 -0.857909 1.120345
H 2.769181 -1.690768 -0.461394
H 3.889743 0.424844 -1.411217
H 1.429470 0.241621 -1.350495
H -2.244398 -0.462383 1.245484
H -3.482635 0.496504 -1.284945
H -3.577602 1.439529 0.229355
H 4.980658 1.991250 0.178130
H 4.302067 1.100177 1.573864
H 3.201653 1.997876 0.472949
H -4.768970 -0.460750 1.352370
H -4.650862 -1.425253 -0.146156
H 5.080046 -1.526473 -0.623546
H -6.829021 0.021197 0.292231
H -6.091245 0.379347 -1.194478


