%chk=000052193.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052193

0 1
 O    1.461800      -1.014700      -1.954700    
 O  -0.9198000      0.1813000       1.911500    
 O    2.371900       2.908900      0.2440000    
 N    1.846700      0.9917000     -0.9111000    
 N   0.6574000       1.588800       1.020600    
 C  -0.1995000     -0.2465000     -0.3641000    
 C  -0.5656000      -1.720000     -0.1338000    
 C   0.5300000      -2.505400      0.5968000    
 C   -1.281500      0.4162000      -1.235300    
 C    1.111700     -0.1621000      -1.139000    
 C  -0.1882000      0.4905000      0.9714000    
 C    1.866800      -2.478900     -0.1455000    
 C   0.7095000      -1.935200       2.005800    
 C   -2.618300      0.4516000     -0.5499000    
 C    1.663300       1.908900      0.1168000    
 C   -2.943900       1.672800      0.2610000    
 C   -3.502100     -0.5479000     -0.6946000    
 H   -1.485100      -1.830700      0.4523000    
 H  -0.7527000      -2.216100      -1.096300    
 H   0.1989000      -3.548100      0.6847000    
 H   -1.366300     -0.1144000      -2.194600    
 H  -0.9950000       1.441200      -1.509200    
 H    2.487000      -1.590400     -1.1400000E-02
 H    1.806400      -2.904900      -1.150800    
 H    2.491700      -3.232100      0.3639000    
 H    1.286100      -1.010000       2.055500    
 H    1.319500      -2.650900       2.575500    
 H  -0.2316000      -1.883700       2.559100    
 H    2.653400       1.141800      -1.510500    
 H   0.5869000       2.179100       1.844700    
 H   -3.741000       1.472800      0.9856000    
 H   -2.099800       2.084500      0.8129000    
 H   -3.295300       2.464700     -0.4103000    
 H   -3.282200      -1.417900      -1.304200    
 H   -4.474100     -0.5127000     -0.2136000    


%chk=000052193-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052193

0 1
O 1.055270 -0.576572 -2.379825
O -0.902278 0.611707 1.922893
O 2.992588 2.611934 0.386101
N 1.995390 0.977711 -0.956776
N 0.995050 1.613982 1.082258
C -0.203012 -0.093175 -0.327087
C -0.481692 -1.603874 -0.022434
C 0.589932 -2.469083 0.709842
C -1.429067 0.506350 -1.184347
C 0.987594 0.052148 -1.292219
C -0.079930 0.704747 0.975562
C 1.900872 -2.685330 -0.086659
C 0.904671 -2.016705 2.157253
C -2.837511 0.406513 -0.604035
C 2.060268 1.795261 0.184222
C -3.364942 1.591775 0.185110
C -3.616331 -0.677415 -0.872750
H -1.414510 -1.626257 0.569182
H -0.696327 -2.077409 -0.999767
H 0.099331 -3.463517 0.788218
H -1.380021 -0.047179 -2.139241
H -1.193223 1.567047 -1.405569
H 2.526916 -1.773075 -0.105249
H 1.702930 -2.977858 -1.132915
H 2.504661 -3.479729 0.390124
H 1.498796 -1.083222 2.177166
H 1.504843 -2.790564 2.671136
H -0.014936 -1.841162 2.742461
H 2.761470 1.090528 -1.629103
H 1.037604 2.175637 1.939293
H -4.421649 1.445681 0.466757
H -2.783640 1.747663 1.110791
H -3.295457 2.522233 -0.412847
H -3.253108 -1.516782 -1.477183
H -4.643552 -0.749807 -0.497160


