%chk=000047292.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047292

0 1
 O    1.612700       3.573900      3.4899998E-02
 N   0.5894000       1.800400     -0.9825000    
 N   -5.000500     -0.6152000      0.9765000    
 C   0.2364000      0.3856000      -1.078700    
 C    1.296700     -0.5174000     -0.4961000    
 C    2.196700     -1.5699999E-02  0.4546000    
 C    2.101400       1.409900      0.9190000    
 C   -1.155000      0.1197000     -0.5325000    
 C    1.428700       2.358100     -4.6300001E-02
 C    1.381000      -1.862200     -0.8876000    
 C    3.156300     -0.8702000       1.015300    
 C   -2.171600     -0.2851000      -1.393900    
 C   -1.408800      0.2822000      0.8272000    
 C    2.347800      -2.700300     -0.3339000    
 C    3.234100      -2.204900      0.6185000    
 C   -3.450100     -0.5292000     -0.8922000    
 C   -2.687200      3.7999999E-02   1.328700    
 C   -3.708000     -0.3677000      0.4690000    
 H   0.2289000      0.2020000      -2.162100    
 H    1.557700       1.448500       1.869200    
 H    3.113800       1.797600       1.087800    
 H   0.1266000       2.436600      -1.625000    
 H   0.6907000      -2.263400      -1.625400    
 H    3.849000     -0.4989000       1.766500    
 H   -1.986000     -0.4156000      -2.456500    
 H  -0.6345000      0.5982000       1.517700    
 H    2.406100      -3.740000     -0.6422000    
 H    3.983700      -2.858200       1.055300    
 H   -4.237000     -0.8450000      -1.572300    
 H   -2.875700      0.1676000       2.391400    
 H   -5.741300     -0.9083000      0.3536000    
 H   -5.188100     -0.4972000       1.963300    


%chk=000047292-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047292

0 1
O 1.833852 3.656060 0.697521
N 0.459788 1.933428 -0.038257
N -5.263608 -0.977579 0.375710
C 0.210065 0.598258 -0.647312
C 1.266181 -0.401722 -0.148693
C 2.570030 0.073824 0.152877
C 2.886832 1.550349 -0.017648
C -1.232833 0.182075 -0.379810
C 1.697047 2.475778 0.253266
C 0.980208 -1.782192 -0.037118
C 3.560027 -0.839526 0.587271
C -2.115275 -0.117879 -1.444218
C -1.728503 0.082822 0.947024
C 1.977645 -2.690371 0.381766
C 3.271358 -2.217501 0.699885
C -3.449152 -0.506013 -1.207294
C -3.057092 -0.296751 1.202227
C -3.944561 -0.600010 0.125423
H 0.328726 0.679353 -1.752624
H 3.712716 1.874449 0.636607
H 3.218531 1.748000 -1.059908
H -0.350255 2.546002 0.090475
H -0.028096 -2.142932 -0.266528
H 4.561508 -0.468008 0.835835
H -1.755887 -0.046406 -2.478890
H -1.059723 0.304926 1.787042
H 1.744386 -3.757450 0.467117
H 4.047059 -2.914629 1.035831
H -4.112463 -0.732077 -2.051013
H -3.418434 -0.363055 2.235937
H -5.899429 -1.189761 -0.387275
H -5.616746 -1.037663 1.326072


