%chk=000054715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054715

0 1
 I   -2.619600       3.124100      0.4037000    
 O   0.9501000       1.389500      0.8763000    
 O   -1.437100      0.4017000      -1.898900    
 N   -1.175400     -0.4790000      0.2602000    
 N    2.166500      -1.657100     -0.2686000    
 N    2.421300     -0.3381000      0.1543000    
 C   0.1463000     -0.7251000      0.1235000    
 C   -1.805500     -0.8308000       1.550600    
 C   0.7811000      -1.817900     -0.3182000    
 C    1.198200      0.2646000      0.4741000    
 C   -1.175400     -3.0600000E-02   2.683000    
 C   -1.698500      -2.329000       1.807000    
 C   -1.912000      9.0999998E-02 -0.8064000    
 C    3.659300      0.3204000     -5.1300000E-02
 C   0.1674000      -3.100000     -0.7703000    
 C    3.026000      -2.724900      0.2331000    
 C   -3.355500      0.3282000     -0.6363000    
 C    3.941800       1.514600      0.6194000    
 C    4.608000     -0.2192000     -0.9259000    
 C   -3.855400       1.525900     -0.1461000    
 C   -4.205600     -0.7112000     -0.9886000    
 C    5.160300       2.162800      0.4175000    
 C    5.826500      0.4291000      -1.127500    
 C    6.102700       1.620100     -0.4558000    
 C   -5.233700       1.688500     -5.2999998E-03
 C   -5.583900     -0.5485000     -0.8476000    
 C   -6.097800      0.6511000     -0.3559000    
 H   -2.868900     -0.5837000       1.540500    
 H   -1.727400     -0.2009000       3.614600    
 H  -0.1374000     -0.3224000       2.874600    
 H   -1.196700       1.043600       2.484700    
 H   -2.134800      -2.904900      0.9853000    
 H   -2.255900      -2.591700       2.713700    
 H  -0.6684000      -2.660600       1.968100    
 H   0.6325000      -3.430100      -1.705600    
 H  -0.9029000      -2.996700     -0.9711000    
 H   0.3083000      -3.886400     -2.2600001E-02
 H    4.066800      -2.422400      0.3708000    
 H    3.019400      -3.570500     -0.4626000    
 H    2.664900      -3.077600       1.206400    
 H    3.247400       1.954100       1.328200    
 H    4.417600      -1.123100      -1.497300    
 H   -3.816200      -1.650900      -1.371300    
 H    5.378300       3.086900      0.9448000    
 H    6.557300      1.1400000E-02  -1.813900    
 H    7.051200       2.125000     -0.6135000    
 H   -5.658700       2.613600      0.3761000    
 H   -6.256700      -1.356400      -1.120000    
 H   -7.170900      0.7773000     -0.2459000    


%chk=000054715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054715

0 1
I -2.445643 2.956802 0.151260
O 1.171892 1.421217 1.182076
O -1.304013 -0.370259 -1.851499
N -1.170722 -0.522916 0.483143
N 2.222844 -1.638001 -0.299054
N 2.501620 -0.379363 0.326378
C 0.236297 -0.757375 0.396339
C -1.869885 -0.639530 1.812649
C 0.845389 -1.859483 -0.188995
C 1.257697 0.249697 0.714839
C -1.050545 -0.016140 2.959080
C -2.215985 -2.119577 2.102921
C -1.856335 -0.276734 -0.712333
C 3.713611 0.319391 0.029082
C 0.219758 -3.123863 -0.695098
C 3.213734 -2.718720 -0.114339
C -3.332675 0.068911 -0.628416
C 4.210357 1.251776 0.974143
C 4.394732 0.112589 -1.198483
C -3.815564 1.371543 -0.345365
C -4.272895 -0.932114 -0.990819
C 5.392448 1.966212 0.686888
C 5.587935 0.818253 -1.461718
C 6.093122 1.746860 -0.522358
C -5.196524 1.666536 -0.402072
C -5.654023 -0.652077 -1.041339
C -6.117007 0.649865 -0.743626
H -2.810482 -0.070275 1.712355
H -1.667379 -0.005660 3.876032
H -0.139611 -0.605888 3.169251
H -0.742257 1.013293 2.717599
H -2.877395 -2.537816 1.322386
H -2.735549 -2.204712 3.074712
H -1.295409 -2.730134 2.154542
H 0.405938 -3.246884 -1.777090
H -0.869277 -3.070018 -0.547592
H 0.596675 -4.022393 -0.171281
H 4.215303 -2.352685 -0.385610
H 2.952466 -3.549061 -0.788792
H 3.235649 -3.082099 0.932096
H 3.660055 1.420973 1.902438
H 3.968013 -0.561122 -1.949207
H -3.903616 -1.929763 -1.253913
H 5.769139 2.693421 1.414421
H 6.110558 0.657695 -2.411237
H 7.014457 2.299849 -0.734548
H -5.549897 2.679644 -0.188622
H -6.361829 -1.439415 -1.321107
H -7.186274 0.883347 -0.786118


