%chk=000090452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090452

0 1
 O   -4.501400     -1.6899999E-02  1.4700000E-02
 N    1.075900      8.6000003E-03  2.6500000E-02
 C    3.958500      2.2500001E-02 -0.1117000    
 C    3.198900       1.036000      0.7352000    
 C    3.164800      -1.274200     -0.2176000    
 C    1.790600       1.279200      0.1945000    
 C    1.760000      -1.026000     -0.7623000    
 C  -0.3243000      1.7000000E-03  2.3000000E-02
 C   -1.052400       1.114000     -0.4416000    
 C   -1.043900      -1.117200      0.4846000    
 C   -2.447300       1.107500     -0.4445000    
 C   -2.438900      -1.123700      0.4818000    
 C   -3.140400     -1.1300000E-02  1.7300000E-02
 H    4.135300      0.4331000      -1.113100    
 H    4.938900     -0.1762000      0.3352000    
 H    3.133200      0.6663000       1.766400    
 H    3.750600       1.982100      0.7683000    
 H    3.693400      -1.981500     -0.8663000    
 H    3.094500      -1.737500      0.7747000    
 H    1.266200       1.931400      0.9040000    
 H    1.849400       1.803500     -0.7674000    
 H    1.814100     -0.7033000      -1.809700    
 H    1.216200      -1.977500     -0.7473000    
 H  -0.5468000       1.998000     -0.8220000    
 H  -0.5185000      -1.990800      0.8641000    
 H   -2.982400       1.979100     -0.8119000    
 H   -2.973400      -1.997000      0.8455000    
 H   -4.819400      0.8317000     -0.3386000    


%chk=000090452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090452

0 1
O -4.608743 -0.064263 -0.002748
N 1.089769 -0.009804 0.076360
C 4.027354 0.007371 -0.108740
C 3.245090 1.121509 0.620210
C 3.223982 -1.311406 -0.058226
C 1.816017 1.276641 0.054648
C 1.808706 -1.101126 -0.631767
C -0.334750 0.010784 0.013467
C -1.069973 1.202989 -0.244245
C -1.083924 -1.181546 0.259960
C -2.483913 1.206837 -0.244738
C -2.488375 -1.185570 0.240675
C -3.197047 0.012478 -0.009642
H 4.189111 0.298525 -1.167524
H 5.026933 -0.125283 0.345970
H 3.172880 0.873461 1.696838
H 3.771686 2.091403 0.534917
H 3.736582 -2.104220 -0.636197
H 3.142495 -1.656854 0.990540
H 1.262687 2.004344 0.673978
H 1.871791 1.692055 -0.983489
H 1.892366 -0.855524 -1.719810
H 1.226104 -2.032291 -0.556340
H -0.549507 2.138894 -0.465388
H -0.561120 -2.112632 0.501201
H -3.019910 2.144513 -0.444401
H -3.052012 -2.102818 0.436505
H -5.002878 0.823136 -0.190213


