%chk=000018585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018585

0 1
 O   -1.338700      -1.602000      0.2385000    
 O  -0.1274000      -3.138800     -0.9763000    
 N   -3.622200      4.8599999E-02 -5.5300001E-02
 C    1.034300      -1.519400      0.4408000    
 C    1.502100     -0.3435000     -0.3601000    
 C    2.128600      -2.589900      0.7092000    
 C    1.459500      0.9661000      0.1456000    
 C   -3.726200      -1.363800      0.2796000    
 C  -0.1870000      -2.202100     -0.1905000    
 C   -2.552400      -2.139900     -0.2962000    
 C    1.916600       2.034700     -0.6619000    
 C   -4.065700      0.2892000      -1.430500    
 C   -4.406000      0.8615000      0.8780000    
 C    1.988000     -0.5957000      -1.643400    
 C   0.9734000       1.238600       1.434800    
 C    2.403000       1.762400      -1.950900    
 C    2.437900      0.4552000      -2.437200    
 C    3.294900      -2.033700       1.476900    
 C    1.874400       3.344400     -0.1563000    
 C   -3.896700       1.749500      -1.814200    
 C   -3.964300      0.6294000       2.313000    
 C   0.9384000       2.545900       1.920700    
 C    1.388000       3.596800       1.126700    
 C    4.547500      -1.993300       1.009200    
 H   0.6930000      -1.257600       1.443700    
 H    2.468700      -3.043500     -0.2306000    
 H    1.695300      -3.412100       1.294100    
 H   -4.676000      -1.795900     -6.0100000E-02
 H   -3.670700      -1.550600       1.354600    
 H   -2.636000      -3.191000      6.0000001E-03
 H   -2.527700      -2.101100      -1.390300    
 H   -5.111200     -9.2000002E-03  -1.580100    
 H   -3.460500     -0.2956000      -2.131300    
 H   -4.242200       1.927000      0.6872000    
 H   -5.482300      0.6682000      0.7877000    
 H    2.022400      -1.603000      -2.049200    
 H   0.6010000      0.4865000       2.118600    
 H    2.759400       2.568400      -2.589000    
 H    2.815400      0.2585000      -3.436500    
 H    3.098100      -1.651500       2.475100    
 H    2.220600       4.181200     -0.7594000    
 H   -4.653500       2.394100      -1.356700    
 H   -2.901600       2.125400      -1.552200    
 H   -4.010300       1.857800      -2.898800    
 H   -4.397700     -0.2753000       2.749900    
 H   -2.873400      0.5931000       2.408500    
 H   -4.312400       1.460800       2.937300    
 H   0.5590000       2.744700       2.919000    
 H    1.360100       4.614300       1.505600    
 H    5.347000      -1.581600       1.615500    
 H    4.796500      -2.364400      2.1299999E-02


%chk=000018585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018585

0 1
O -1.545144 -1.979781 1.147456
O -0.932529 -2.488095 -1.052270
N -3.466142 -0.197111 -0.380642
C 0.726270 -1.514629 0.514117
C 0.920182 -0.067153 0.034307
C 1.840734 -2.468665 -0.035716
C 1.280973 1.000313 0.941989
C -3.806190 -1.040702 0.781687
C -0.646847 -2.035648 0.080845
C -2.966162 -2.324943 0.863957
C 1.496565 2.333669 0.400709
C -4.014455 -0.714393 -1.662942
C -3.749772 1.246624 -0.161048
C 0.776162 0.210996 -1.332274
C 1.441972 0.823808 2.359577
C 1.341234 2.566002 -1.004265
C 0.983729 1.520940 -1.855726
C 3.213566 -2.124066 0.499308
C 1.861947 3.405610 1.281866
C -3.178249 -0.289179 -2.884715
C -2.746938 1.929382 0.788497
C 1.795976 1.887396 3.192787
C 2.011619 3.193519 2.652168
C 4.290916 -1.811966 -0.262420
H 0.741002 -1.554672 1.614418
H 1.832194 -2.440314 -1.139048
H 1.576454 -3.504662 0.262273
H -4.886626 -1.345879 0.796279
H -3.628890 -0.460954 1.704376
H -3.287573 -2.943061 1.719758
H -3.005357 -2.915714 -0.067535
H -5.083058 -0.406675 -1.799276
H -4.008637 -1.818632 -1.615575
H -3.693718 1.746742 -1.144655
H -4.795240 1.403244 0.212124
H 0.482172 -0.597181 -2.011649
H 1.278203 -0.160362 2.808243
H 1.506765 3.576939 -1.395605
H 0.858491 1.697750 -2.929525
H 3.322217 -2.143694 1.596020
H 2.022145 4.402678 0.853611
H -3.147277 0.808965 -3.005450
H -2.145260 -0.656152 -2.764281
H -3.604512 -0.717691 -3.811308
H -2.768244 1.495254 1.804702
H -1.720363 1.823148 0.399299
H -2.982452 3.006289 0.882061
H 1.908824 1.722112 4.270104
H 2.290848 4.019425 3.315522
H 5.263845 -1.579325 0.184726
H 4.225631 -1.771707 -1.356764


