%chk=000042021.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042021

0 1
 O   -1.139700      -1.827300     -0.5035000    
 O   0.5712000       2.406000     -3.1300001E-02
 O    4.211200      -1.124200      0.3191000    
 O   -1.696800       2.381300     -0.3659000    
 N   -3.761400     -0.3452000      0.5686000    
 C   -1.571500     -0.5392000     -0.5001000    
 C  -0.5211000      0.3265000     -0.3005000    
 C   0.6415000     -0.4781000     -0.1715000    
 C   -3.015900     -0.3467000     -0.7010000    
 C   0.2080000      -1.793100     -0.3038000    
 C    2.010700     -0.2406000      4.2199999E-02
 C    1.047900      -2.903500     -0.2385000    
 C  -0.6290000       1.755300     -0.2415000    
 C    2.880500      -1.337600      0.1124000    
 C    2.405300      -2.644300     -2.5900001E-02
 C   -3.575300      -1.616100       1.260600    
 C   -5.176500     -9.2500001E-02  0.3188000    
 C   0.5357000       3.835900      3.7999999E-02
 C    1.939200       4.353200      0.2712000    
 C    4.636100      0.2301000      0.4526000    
 H   -3.188300      0.5966000      -1.232200    
 H   -3.397400      -1.133100      -1.367700    
 H    2.342000      0.7830000      0.1444000    
 H   0.6717000      -3.913700     -0.3465000    
 H    3.098700      -3.480300      3.2099999E-02
 H   -2.555000      -1.731800       1.640300    
 H   -4.215400      -1.660100       2.150400    
 H   -3.825000      -2.479200      0.6324000    
 H   -5.732100     -4.4300001E-02   1.262200    
 H   -5.315400      0.8768000     -0.1730000    
 H   -5.632900     -0.8664000     -0.3092000    
 H   0.1442000       4.235500     -0.9039000    
 H  -0.1155000       4.143500      0.8634000    
 H    1.949300       5.445100      0.3296000    
 H    2.350600       3.944900       1.200300    
 H    2.605900       4.035500     -0.5372000    
 H    5.719500      0.2136000      0.6109000    
 H    4.194300      0.7075000       1.334000    
 H    4.458700      0.8018000     -0.4648000    


%chk=000042021-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042021

0 1
O -1.086206 -1.955758 -0.489972
O 0.512023 2.394983 -0.076687
O 4.357543 -1.113779 0.376233
O -1.773419 2.358122 -0.541902
N -3.779596 -0.556515 0.586183
C -1.570659 -0.633807 -0.519690
C -0.523800 0.273411 -0.331867
C 0.702398 -0.507201 -0.164794
C -3.048614 -0.457342 -0.704118
C 0.313144 -1.868144 -0.267814
C 2.066602 -0.192350 0.054756
C 1.201930 -2.947756 -0.167739
C -0.699872 1.730907 -0.334367
C 2.977112 -1.268987 0.158799
C 2.554841 -2.629072 0.049579
C -3.969978 -1.945198 1.045911
C -5.025653 0.234716 0.594872
C 0.431842 3.886165 -0.058002
C 1.842919 4.401526 0.208053
C 4.868113 0.252273 0.499620
H -3.199873 0.558096 -1.105578
H -3.415859 -1.197866 -1.457694
H 2.370334 0.851637 0.138776
H 0.862740 -3.983254 -0.254079
H 3.312810 -3.412098 0.140251
H -2.997700 -2.461929 1.101911
H -4.417149 -1.938368 2.055974
H -4.638114 -2.541153 0.372188
H -5.468093 0.205788 1.606933
H -4.796422 1.286559 0.351528
H -5.798352 -0.135961 -0.126327
H 0.032626 4.227578 -1.030199
H -0.283470 4.185888 0.729187
H 1.837777 5.506473 0.234890
H 2.221416 4.034717 1.177930
H 2.537682 4.079023 -0.586868
H 5.950340 0.141870 0.662061
H 4.411220 0.776291 1.361997
H 4.685418 0.835315 -0.424433


