%chk=000004997.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004997

0 1
 O   -4.529800     -0.8512000     -0.2806000    
 O   -3.522700      -1.055300       1.746800    
 N   -2.598100      0.8594000      -1.199600    
 C    3.841100      0.4128000     -0.2419000    
 C    2.714100       1.233800      0.3579000    
 C    3.640600      -1.103200     -0.1043000    
 C   0.4820000       2.437800     -2.8400000E-02
 C    1.688200       1.630400     -0.4207000    
 C  -0.7887000       1.674500     -0.2548000    
 C    2.853700       1.542700       1.822700    
 C    2.434900      -1.593100     -0.8602000    
 C   -1.416700      0.8395000      0.6808000    
 C   -1.520400       1.680700      -1.405100    
 C   -2.545300      0.3414000      6.8099998E-02
 C    1.354500      -2.236500     -0.3782000    
 C   0.1806000      -2.699700      -1.192800    
 C    1.254500      -2.559700       1.089200    
 C   -3.522400     -0.5545000      0.6012000    
 H    3.964800      0.6670000      -1.303700    
 H    4.788500      0.6969000      0.2338000    
 H    4.519400      -1.602900     -0.5318000    
 H    3.632000      -1.381900      0.9522000    
 H   0.4705000       3.350500     -0.6383000    
 H   0.5155000       2.778100       1.010000    
 H    1.717500       1.354200      -1.475000    
 H    2.461600      -1.397700      -1.931800    
 H    3.744800       2.156100       1.992300    
 H    2.963000      0.6146000       2.393400    
 H    2.002100       2.077200       2.246400    
 H   -1.091200      0.6179000       1.688300    
 H   -1.385100       2.185200      -2.351600    
 H   -3.319800      0.6667000      -1.880700    
 H  -0.7402000      -2.218800     -0.8487000    
 H   6.2600002E-02  -3.784700      -1.108800    
 H   0.3070000      -2.457300      -2.253100    
 H    1.799500      -1.866900       1.733800    
 H    1.609100      -3.578000       1.276800    
 H   0.2097000      -2.502000       1.416600    
 H   -5.184700      -1.467000      0.1124000    


%chk=000004997-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004997

0 1
O -4.600956 -0.515813 -0.489413
O -2.821325 -1.904093 0.125490
N -3.028018 1.670939 -0.726955
C 3.705761 0.408733 -0.431813
C 2.588464 1.282291 0.128836
C 3.637570 -1.089816 0.007520
C 0.527687 2.775999 -0.326417
C 1.706918 1.898533 -0.710808
C -0.808534 2.059224 -0.440409
C 2.541914 1.385437 1.643523
C 2.426177 -1.815231 -0.543267
C -1.063821 0.677043 -0.177421
C -2.048823 2.645566 -0.783480
C -2.446128 0.450727 -0.355994
C 1.513695 -2.583177 0.121595
C 0.371177 -3.259847 -0.620803
C 1.532077 -2.847625 1.618219
C -3.227092 -0.761156 -0.206507
H 3.692945 0.454173 -1.538389
H 4.687094 0.813484 -0.103541
H 4.558750 -1.583095 -0.370262
H 3.685220 -1.159760 1.109550
H 0.509566 3.675553 -0.973605
H 0.651303 3.149052 0.708830
H 1.817020 1.718941 -1.790783
H 2.291213 -1.704924 -1.632132
H 3.545304 1.615351 2.052192
H 2.226293 0.422540 2.091200
H 1.841186 2.157182 2.001881
H -0.327177 -0.079391 0.090449
H -2.279286 3.674049 -1.056919
H -4.022785 1.776264 -0.923832
H -0.614072 -2.913139 -0.251647
H 0.399968 -4.357936 -0.468860
H 0.418365 -3.064510 -1.706794
H 2.334877 -2.308058 2.147850
H 1.663776 -3.929688 1.819368
H 0.562491 -2.561223 2.071823
H -5.102096 -1.365600 -0.375675


