%chk=000005685.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005685

0 1
 O   -4.094800     -0.6896000     -0.9279000    
 O   -4.352500       1.124100       1.296600    
 O    3.066200     -0.2330000     -0.6987000    
 O    4.386400      -2.339100      0.5244000    
 O    4.177200       2.302900     -0.6360000    
 N  -0.5517000     -0.2225000     -2.3499999E-02
 C   -3.003400     -0.3688000     -5.4400001E-02
 C   -1.715500     -0.5028000     -0.8536000    
 C   -3.176000       1.044800      0.4856000    
 C   0.6786000     -0.3413000     -0.7940000    
 C   -5.305700     -0.3423000     -0.3894000    
 C   -5.429900      0.5282000      0.6955000    
 C    1.891000     -9.0300001E-02  8.8299997E-02
 C   -6.444700     -0.8906000     -0.9796000    
 C   -6.690300      0.8164000       1.219300    
 C   -7.705800     -0.5911000     -0.4639000    
 C   -7.828100      0.2568000      0.6374000    
 C    4.263100     -2.1100000E-02 -6.5899998E-02
 C    4.919400      -1.085500      0.5446000    
 C    4.813900       1.256500     -3.9600000E-02
 C    6.138100     -0.8701000       1.187900    
 C    6.032800       1.471700      0.6036000    
 C    6.694900      0.4083000       1.217300    
 C    4.746900      -3.179200     -0.5702000    
 C    4.490000       2.557500      -2.003900    
 H   -3.010000      -1.098300      0.7681000    
 H   -1.749000      0.1792000      -1.713400    
 H   -1.658400      -1.517500      -1.268600    
 H   -3.263300       1.782900     -0.3224000    
 H   -2.337200       1.341300       1.122800    
 H  -0.5294000     -0.8673000      0.7661000    
 H   0.6864000      0.3771000      -1.623300    
 H   0.7648000      -1.339200      -1.242600    
 H    1.914900     -0.8110000      0.9152000    
 H    1.848700      0.9217000      0.5101000    
 H   -6.357800      -1.558800      -1.832000    
 H   -6.795300       1.482800       2.071200    
 H   -8.593600      -1.022100     -0.9176000    
 H   -8.810900      0.4850000       1.039500    
 H    6.659000      -1.693600       1.669000    
 H    6.472200       2.465200      0.6311000    
 H    7.643700      0.5761000       1.718500    
 H    4.238200      -4.139100     -0.4473000    
 H    4.429600      -2.733900      -1.518500    
 H    5.827500      -3.354000     -0.5797000    
 H    4.233300       1.693600      -2.625100    
 H    5.551700       2.799200      -2.116000    
 H    3.898900       3.415100      -2.336500    


%chk=000005685-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005685

0 1
O -4.066862 -0.692836 -0.996361
O -4.200635 1.006404 1.383704
O 3.230879 -0.054423 -0.848463
O 4.273172 -2.210584 0.748448
O 4.595654 2.499640 -0.761017
N -0.422639 -0.535770 -0.240604
C -2.883528 -0.425821 -0.139543
C -1.657582 -0.562318 -1.052470
C -3.016888 0.962118 0.497972
C 0.832988 -0.375535 -1.003714
C -5.297073 -0.347973 -0.384770
C -5.360370 0.465233 0.781480
C 1.989431 -0.136846 -0.027194
C -6.482797 -0.843168 -0.964243
C -6.607774 0.749097 1.373736
C -7.731500 -0.546438 -0.376379
C -7.792935 0.241198 0.799373
C 4.405081 0.118430 -0.071345
C 4.921953 -0.952915 0.711542
C 5.069959 1.376750 -0.057137
C 6.043835 -0.756791 1.544454
C 6.200073 1.565493 0.773843
C 6.670752 0.508916 1.582278
C 4.237678 -2.938244 -0.541049
C 4.393187 2.340350 -2.217813
H -2.862084 -1.191985 0.665086
H -1.633605 0.290412 -1.757160
H -1.783709 -1.485616 -1.664945
H -3.120804 1.733098 -0.291729
H -2.148104 1.185597 1.133855
H -0.374562 -1.341682 0.398974
H 0.729594 0.503762 -1.666149
H 1.080584 -1.248896 -1.653690
H 2.090632 -0.972258 0.694352
H 1.851158 0.811177 0.523963
H -6.405042 -1.462147 -1.863801
H -6.627010 1.373286 2.272719
H -8.649438 -0.934169 -0.830063
H -8.758856 0.465865 1.263412
H 6.400501 -1.597236 2.147139
H 6.678139 2.549545 0.777049
H 7.538726 0.667119 2.230870
H 3.689081 -3.870006 -0.334496
H 3.720279 -2.344553 -1.315626
H 5.267032 -3.174866 -0.871486
H 3.659903 1.544875 -2.430289
H 5.357308 2.111941 -2.712072
H 4.020319 3.317071 -2.562142


