%chk=000099572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099572

0 1
 O   -2.917200     -0.9344000     -0.4022000    
 O    2.917100     -0.9340000     -0.4029000    
 O   -3.089900      6.3199997E-02   1.665100    
 O    3.091200      6.3299999E-02   1.664500    
 N  -9.9999997E-05   2.347100     -0.7150000    
 C   6.0000003E-04 -0.1172000      0.6045000    
 C   -1.202300      0.4977000      0.2748000    
 C    1.203000      0.4986000      0.2752000    
 C   -1.148800       1.718400     -0.3786000    
 C    1.148700       1.719300     -0.3783000    
 C   8.9999998E-04  -1.436900       1.310700    
 C   -2.479300     -0.1224000      0.6064000    
 C    2.480200     -0.1213000      0.6057000    
 C   -2.406200       2.430100     -0.7594000    
 C    2.405700       2.431700     -0.7587000    
 C   -4.166600      -1.602000     -0.1950000    
 C    4.165400      -1.603500     -0.1955000    
 C   -4.481300      -2.447900      -1.410400    
 C    4.478900      -2.449800      -1.410900    
 H   0.8695000      -1.557300       1.965800    
 H  -0.8680000      -1.558000       1.965300    
 H   1.3000000E-03  -2.251000      0.5784000    
 H   -2.181900       3.379400      -1.258000    
 H   -2.998200       1.824900      -1.453400    
 H   -3.005800       2.657400      0.1278000    
 H    2.181000       3.381000      -1.257100    
 H    2.998200       1.827100      -1.452700    
 H    3.005000       2.659200      0.1286000    
 H   -4.956200     -0.8573000     -4.5800000E-02
 H   -4.095100      -2.239400      0.6932000    
 H    4.092800      -2.240900      0.6926000    
 H    4.956100     -0.8601000     -4.6200000E-02
 H   -4.536600      -1.825000      -2.309300    
 H   -5.432100      -2.973500      -1.285600    
 H   -3.689700      -3.184500      -1.582400    
 H    4.535300      -1.826900      -2.309800    
 H    3.686100      -3.185300      -1.583100    
 H    5.428900      -2.976900      -1.286100    


%chk=000099572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099572

0 1
O -3.014259 -0.954572 -0.406472
O 3.012675 -0.958022 -0.403709
O -3.158529 0.042540 1.695343
O 3.169035 0.060148 1.687123
N -0.001792 2.330370 -0.728820
C 0.002188 -0.183851 0.611229
C -1.210027 0.463549 0.259456
C 1.212306 0.466831 0.258389
C -1.181166 1.720984 -0.406536
C 1.179500 1.724157 -0.407598
C 0.004339 -1.531007 1.305762
C -2.533951 -0.144159 0.623874
C 2.538274 -0.137320 0.621236
C -2.452486 2.450607 -0.782015
C 2.448555 2.456928 -0.784574
C -4.351899 -1.593496 -0.172358
C 4.351378 -1.595091 -0.170561
C -4.669133 -2.412637 -1.418479
C 4.662970 -2.424324 -1.411407
H 0.896599 -1.654331 1.942374
H -0.886828 -1.656514 1.943454
H 0.005032 -2.347047 0.558696
H -2.196107 3.354619 -1.354174
H -3.116298 1.810501 -1.392347
H -3.019390 2.748868 0.119818
H 2.189310 3.359860 -1.357147
H 3.113700 1.818290 -1.395032
H 3.015348 2.757211 0.116633
H -5.088763 -0.790694 0.011138
H -4.284168 -2.212637 0.740346
H 4.287815 -2.206780 0.747456
H 5.089063 -0.790842 0.003041
H -4.713024 -1.769134 -2.313579
H -5.648912 -2.910112 -1.298944
H -3.903342 -3.189021 -1.586025
H 4.702710 -1.788108 -2.311892
H 3.896537 -3.202129 -1.569196
H 5.643341 -2.920736 -1.292306


