%chk=000086241.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086241

0 1
 O   -3.876300      -1.245100      -1.245900    
 O    2.792400      -3.728000     -0.2392000    
 O    2.728700     -0.9669000      8.2199998E-02
 O   0.5125000       2.159900      0.5433000    
 O    3.291000      0.6246000       1.647400    
 N  -0.5668000      -2.219300      0.1444000    
 N   -1.721300       2.351800     -0.2716000    
 N  -0.7736000       4.148500      0.6714000    
 C   -2.896600      -1.319100     -0.1994000    
 C   -2.589900      0.1251000      0.2763000    
 C   -1.632800      -1.965700     -0.8172000    
 C   -3.511100      -2.163200      0.9424000    
 C   -1.988600       1.037700     -0.7940000    
 C   -3.845600      -3.602700      0.5622000    
 C   0.5612000      -2.883200     -0.4937000    
 C    1.720900      -3.109700      0.4791000    
 C  -0.5139000       2.789700      0.3410000    
 C   -2.616000       3.399400     -0.2887000    
 C    2.239900      -1.820600       1.112100    
 C   -2.046000       4.471000      0.2755000    
 C    3.230600      0.2343000      0.4899000    
 C    3.699200       1.013300     -0.6899000    
 C    3.579300      0.4420000      -2.069400    
 C    4.222700       2.226100     -0.4581000    
 H   -1.917600      9.2600003E-02   1.143700    
 H   -3.522700      0.5848000      0.6306000    
 H   -1.266500      -1.365400      -1.657800    
 H   -1.929900      -2.912500      -1.289300    
 H   -2.849500      -2.168700       1.816500    
 H   -4.446900      -1.688300       1.265700    
 H   -1.026000      0.6463000      -1.135300    
 H   -2.649700       1.124800      -1.663200    
 H  -0.9099000      -2.798600      0.9088000    
 H   -4.368500      -4.092800       1.390200    
 H   -4.497300      -3.644400     -0.3157000    
 H   -2.943700      -4.185900      0.3556000    
 H   0.9189000      -2.295600      -1.349500    
 H   0.2539000      -3.854500     -0.9031000    
 H   -4.666900     -0.8076000     -0.8863000    
 H    1.407100      -3.803300       1.268200    
 H   -3.604300       3.298100     -0.7068000    
 H    1.454900      -1.312700       1.683300    
 H    3.072200      -2.057400       1.785900    
 H  -0.1336000       4.788100       1.125800    
 H   -2.448700       5.457500      0.4323000    
 H    3.510100      -3.897600      0.3946000    
 H    4.146400     -0.4913000      -2.149800    
 H    2.530700      0.2376000      -2.310300    
 H    3.964500       1.127900      -2.831500    
 H    4.581800       2.842600      -1.276300    
 H    4.311200       2.645000      0.5387000    


%chk=000086241-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086241

0 1
O -3.044711 -1.099699 -1.921244
O 3.046516 -2.959839 1.607720
O 2.124499 -0.107184 0.171950
O -0.215610 1.620946 2.347850
O 4.197050 -1.139835 -0.096204
N -0.503822 -2.297463 0.511907
N -1.488047 2.201515 0.382780
N -1.227491 3.771324 1.934401
C -2.599778 -1.407101 -0.530819
C -2.477332 -0.088767 0.276077
C -1.233615 -2.102555 -0.754342
C -3.646947 -2.330897 0.158799
C -1.431567 0.894253 -0.291267
C -3.911178 -3.672452 -0.555519
C 0.891124 -2.779257 0.401322
C 1.770834 -2.242696 1.559785
C -0.892392 2.431166 1.644184
C -2.168664 3.355888 -0.054587
C 1.931613 -0.709485 1.545042
C -2.005846 4.335099 0.902168
C 3.311658 -0.329570 -0.499300
C 3.407641 0.496779 -1.747923
C 2.250820 1.404177 -2.111690
C 4.545219 0.379988 -2.487800
H -2.197115 -0.324291 1.318478
H -3.472457 0.403368 0.296713
H -0.623156 -1.452267 -1.407491
H -1.411085 -3.038982 -1.331917
H -3.333112 -2.513943 1.206483
H -4.597876 -1.760263 0.234122
H -0.419540 0.481817 -0.139688
H -1.596518 1.048837 -1.372951
H -1.041639 -2.842444 1.197638
H -4.779346 -4.187468 -0.105792
H -4.121281 -3.509952 -1.627586
H -3.046547 -4.356216 -0.483898
H 1.304968 -2.430275 -0.562733
H 0.987080 -3.886920 0.407251
H -3.979246 -0.769804 -1.878237
H 1.274046 -2.482738 2.521423
H -2.695446 3.391491 -1.003745
H 1.024884 -0.190259 1.889066
H 2.801397 -0.419084 2.162764
H -0.925850 4.226210 2.792380
H -2.366950 5.358223 0.925042
H 3.688855 -2.468173 1.015016
H 1.324977 0.820536 -2.268680
H 2.035278 2.119126 -1.297731
H 2.471662 1.967439 -3.034073
H 4.687615 0.957224 -3.407664
H 5.346328 -0.296927 -2.172381


