%chk=000001942.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001942

0 1
 O   -3.144800      0.8950000      -1.095100    
 N  -0.7940000      0.3793000      0.5391000    
 N   0.8194000       1.878000      0.1918000    
 N   0.4706000      -1.672400      0.2361000    
 N    2.808800      -1.203900     -0.2827000    
 N    3.665900       1.024200     -0.4510000    
 C   -2.105400     -0.1484000      0.8281000    
 C   -2.951500     -0.3524000     -0.4319000    
 C   0.3387000     -0.3381000      0.2786000    
 C    1.327500      0.6094000      6.6500001E-02
 C  -0.4548000       1.704800      0.4749000    
 C   -4.328400     -0.8972000     -7.8299999E-02
 C    2.602400      0.1339000     -0.2233000    
 C    1.745800      -2.012000     -5.2800000E-02
 H   -2.589700      0.5664000       1.505000    
 H   -1.979000      -1.090000       1.374400    
 H   -2.442600      -1.029200      -1.127600    
 H   -1.173000       2.495800      0.6430000    
 H   -4.931600      -1.034000     -0.9824000    
 H   -4.253700      -1.859900      0.4364000    
 H   -4.876400     -0.1973000      0.5623000    
 H   -3.656100      0.7221000      -1.904000    
 H    1.947300      -3.076400     -0.1085000    
 H    4.583300      0.6543000     -0.6597000    
 H    3.514400       2.022900     -0.4071000    


%chk=000001942-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001942

0 1
O -3.413630 1.254743 -0.602259
N -0.807600 0.342945 0.404952
N 0.810063 1.890969 -0.114180
N 0.598013 -1.707342 0.466591
N 2.960851 -1.217163 -0.020711
N 3.754217 0.961380 -0.486332
C -2.112616 -0.249780 0.729078
C -3.110325 -0.185914 -0.439086
C 0.393904 -0.367946 0.299082
C 1.378642 0.605481 -0.020618
C -0.497128 1.688668 0.146076
C -4.384431 -0.993282 -0.140426
C 2.711878 0.126965 -0.179978
C 1.911597 -2.041708 0.287532
H -2.554971 0.274041 1.596224
H -1.920559 -1.301425 1.003716
H -2.617305 -0.572994 -1.355951
H -1.269771 2.452123 0.143390
H -5.108202 -0.909357 -0.972202
H -4.151806 -2.065656 -0.006977
H -4.872941 -0.619683 0.777185
H -3.989306 1.383042 -1.397211
H 2.161014 -3.100605 0.404690
H 4.687992 0.569472 -0.586250
H 3.585520 1.957926 -0.604536


