%chk=000046876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046876

0 1
 I   -3.452500       2.527100     -0.5660000    
 I    4.506200      0.6569000       1.881200    
 O  -0.2140000     -1.3400000E-02   1.286000    
 O   -3.227000     -0.4622000       1.480900    
 O    3.385000      -1.065400      -1.047400    
 N   -2.254500     -0.8413000     -0.5955000    
 N    1.833400      0.5960000     -0.5656000    
 C   7.7399999E-02 -0.9237000      0.2260000    
 C   -1.189600      -1.696100     -0.1428000    
 C   0.6567000     -0.1398000     -0.9499000    
 C   -3.195400     -0.2891000      0.2637000    
 C    3.113300      6.5499999E-02 -0.6476000    
 C   -4.222700      0.5625000     -0.4477000    
 C    4.183900       1.023000     -0.1752000    
 H   0.8257000      -1.627600      0.6072000    
 H  -0.9814000      -2.413400     -0.9434000    
 H   -1.545800      -2.252700      0.7314000    
 H  -5.5399999E-02  0.6080000      -1.314800    
 H   0.9034000     -0.8143000      -1.776900    
 H   -2.304600     -0.6303000      -1.588000    
 H    1.706700       1.535700     -0.2012000    
 H  -0.7998000      0.6785000      0.9348000    
 H   -5.157100      0.5292000      0.1221000    
 H   -4.431200      0.1511000      -1.440700    
 H    3.876300       2.058200     -0.3552000    
 H    5.090100      0.8463000     -0.7638000    


%chk=000046876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046876

0 1
I -4.712283 0.464335 -2.609173
I 4.282864 1.418669 2.017522
O -0.044051 -0.768925 1.652680
O -2.469994 0.345050 1.190534
O 2.943720 0.602513 -2.122772
N -2.297924 -0.937956 -0.746679
N 1.859184 0.344178 -0.075833
C 0.049584 -1.267438 0.278452
C -1.278833 -1.886948 -0.232032
C 0.613884 -0.173790 -0.654286
C -2.853587 0.052981 0.003973
C 2.925866 0.697086 -0.850280
C -3.995778 0.899626 -0.553456
C 4.199550 1.244489 -0.203822
H 0.783440 -2.092994 0.338799
H -1.059374 -2.584755 -1.058880
H -1.710391 -2.470126 0.604148
H -0.122219 0.646848 -0.767843
H 0.842733 -0.565205 -1.662132
H -2.661684 -1.078053 -1.694726
H 1.879866 0.435057 0.947094
H -0.911006 -0.259186 1.734221
H -3.690689 1.956536 -0.570767
H -4.877936 0.784387 0.094093
H 4.383658 2.264079 -0.574846
H 5.048501 0.598241 -0.472388


