%chk=000045634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045634

0 1
 O   -4.649800      -3.005800     -0.4392000    
 O   -4.510200       2.162100     -0.8963000    
 O   -1.223200      -2.417200      0.4933000    
 O   -1.425900       2.222700     -2.4700001E-02
 O    1.069200      -1.095200     -0.4212000    
 O    1.050000       1.074800      0.6010000    
 N    1.789400      1.7700000E-02  4.4399999E-02
 C   -3.596100      -2.545200      0.4164000    
 C   -3.775800       2.175300      0.3346000    
 C   -4.118600      -1.702400     -0.7105000    
 C   -5.143200       2.785300      0.2287000    
 C   -2.317500      -3.299500      0.2872000    
 C   -2.549800       3.022000      0.3167000    
 C   2.1800000E-02  -3.095500      0.3791000    
 C  -0.2294000       2.991200     -5.4099999E-02
 C    1.148000      -2.100900      0.5846000    
 C   0.9343000       2.082200     -0.3995000    
 C    3.196300      6.9600001E-02 -3.9700001E-02
 C    3.926300      0.7837000      0.9107000    
 C    3.857900     -0.5927000      -1.073800    
 C    5.317600      0.8355000      0.8269000    
 C    5.249300     -0.5409000      -1.157500    
 C    5.979200      0.1732000     -0.2071000    
 H   -3.840800      -2.266500       1.431900    
 H   -3.667700       1.251900      0.8870000    
 H   -3.510600      -1.582500      -1.597600    
 H   -4.741800     -0.8522000     -0.4667000    
 H   -5.234000       3.863600      0.2190000    
 H   -5.972200       2.262000      0.6873000    
 H   -2.234900      -3.756600     -0.7065000    
 H   -2.294000      -4.097900       1.037700    
 H   -2.400800       3.449500       1.314800    
 H   -2.650500       3.844200     -0.4022000    
 H   8.3200000E-02  -3.890800       1.130000    
 H   9.6900001E-02  -3.535000     -0.6225000    
 H  -6.8599999E-02   3.436800      0.9345000    
 H  -0.3160000       3.787500     -0.8016000    
 H    1.044100      -1.650000       1.580200    
 H    2.114300      -2.612400      0.5183000    
 H   0.7458000       1.623400      -1.379000    
 H    1.861300       2.663800     -0.4448000    
 H    3.429700       1.301600       1.727000    
 H    3.306800      -1.149500      -1.827200    
 H    5.886200       1.390300       1.567500    
 H    5.764600      -1.055400      -1.963300    
 H    7.062500      0.2135000     -0.2723000    


%chk=000045634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045634

0 1
O -5.318725 -3.275944 -0.782409
O -4.082853 1.102092 -0.872625
O -1.959810 -1.967578 0.370886
O -0.904426 1.833868 -0.191261
O 1.516588 -0.807839 0.128869
O 1.730097 1.396777 1.099584
N 2.347570 0.031627 1.037120
C -4.193961 -2.839129 0.127171
C -3.182826 1.263230 0.342874
C -5.393414 -1.958068 -0.040649
C -4.641747 1.579348 0.445678
C -2.901959 -2.545585 -0.603596
C -2.172236 2.383149 0.297404
C -0.674350 -1.648377 -0.269823
C 0.195645 2.803796 -0.132789
C 0.269100 -1.185704 0.840495
C 1.507463 2.039922 -0.240260
C 3.688343 0.086922 0.461307
C 4.539788 1.149114 0.862759
C 4.183969 -0.959320 -0.355272
C 5.883355 1.162345 0.436656
C 5.533829 -0.931672 -0.771457
C 6.388895 0.124357 -0.382737
H -4.094069 -3.438787 1.041113
H -2.813441 0.302268 0.726923
H -5.299086 -1.067582 -0.675183
H -6.154615 -1.929159 0.749275
H -4.970989 2.626804 0.446028
H -5.308646 0.875454 0.958297
H -3.084071 -1.837413 -1.438733
H -2.478683 -3.485610 -1.020004
H -2.027337 2.794648 1.323411
H -2.539251 3.199030 -0.362886
H -0.270988 -2.547190 -0.783676
H -0.804877 -0.832151 -1.008733
H 0.167002 3.365211 0.826870
H 0.110335 3.531721 -0.969694
H -0.141117 -0.295176 1.344519
H 0.482931 -1.983985 1.573183
H 1.433738 1.254752 -1.013161
H 2.348906 2.721889 -0.464597
H 4.143251 1.937809 1.508820
H 3.518139 -1.771603 -0.653009
H 6.538225 1.983466 0.748957
H 5.915310 -1.740414 -1.404886
H 7.434298 0.137987 -0.709261


