%chk=000042606.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042606

0 1
 O  -7.4900001E-02   1.345700      0.1710000    
 O   -4.033900      -1.620300      -1.030400    
 N    3.920700       1.226300      -1.380600    
 N   -1.626300     -0.2430000     -0.5911000    
 C    2.058000      6.1500002E-02  -1.063100    
 C    2.994200     -0.3142000     -5.9500001E-02
 C    4.154100      0.4311000     -0.2813000    
 C   0.6880000     -0.4649000      -1.230000    
 C    2.656600       1.010100      -1.859900    
 C    2.966000      -1.219700       1.019700    
 C    5.291900      0.3157000      0.5252000    
 C  -0.3654000      0.3343000     -0.4599000    
 C    4.096600      -1.345800       1.835000    
 C    5.240600     -0.5889000       1.589700    
 C   -2.844100      0.2058000     -2.7000001E-02
 C   -4.016400     -0.4947000     -0.2616000    
 C   -2.832900       1.349600      0.7558000    
 C   -5.208800     -3.9799999E-02  0.3014000    
 C   -4.025400       1.804400       1.318600    
 C   -5.213400       1.109800       1.091300    
 C   -3.825500      -2.863100     -0.3633000    
 H   0.4078000     -0.4532000      -2.291000    
 H   0.6385000      -1.509700     -0.8997000    
 H    2.298100       1.551600      -2.724300    
 H    4.586700       1.875700      -1.775800    
 H    2.082100      -1.816400       1.226000    
 H    6.183000      0.9045000      0.3351000    
 H    4.080400      -2.042400       2.669100    
 H    6.107400     -0.7026000       2.235700    
 H   -1.698600      -1.083900      -1.159700    
 H   -1.961300       1.944800      0.9816000    
 H   -6.138500     -0.5753000      0.1282000    
 H   -4.030500       2.699400       1.934100    
 H   -6.141800       1.464000       1.529500    
 H   -3.824500      -3.658400      -1.113600    
 H   -4.635200      -3.054500      0.3479000    
 H   -2.861700      -2.871100      0.1555000    


%chk=000042606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042606

0 1
O -1.262601 1.355918 -3.056123
O -1.256666 -0.060479 1.675535
N 3.283239 0.768221 0.762645
N -0.962205 0.736015 -0.809944
C 1.878842 0.808536 -1.045030
C 2.191601 -0.578363 -0.725539
C 3.074149 -0.572229 0.412275
C 1.023187 1.304104 -2.181094
C 2.565361 1.592172 -0.114924
C 1.810001 -1.823078 -1.293638
C 3.579905 -1.759924 0.985811
C -0.510833 1.125265 -2.060138
C 2.311618 -3.010801 -0.727900
C 3.186696 -2.979939 0.399056
C -2.297105 0.515826 -0.388679
C -2.466099 0.078901 0.963242
C -3.441795 0.695833 -1.201173
C -3.748015 -0.173551 1.488051
C -4.728230 0.442779 -0.669836
C -4.885223 0.010868 0.663677
C -1.322678 -0.588614 3.037308
H 1.187746 2.385582 -2.347837
H 1.301078 0.811297 -3.131813
H 2.598885 2.676670 -0.022922
H 3.869961 1.093793 1.527288
H 1.134248 -1.859399 -2.155418
H 4.254058 -1.741988 1.849631
H 2.027557 -3.978491 -1.155737
H 3.560399 -3.922472 0.814635
H -0.248998 0.559934 -0.091470
H -3.302746 1.025923 -2.232261
H -3.872099 -0.508663 2.522151
H -5.606918 0.585151 -1.307722
H -5.883446 -0.184828 1.069653
H -0.277244 -0.656337 3.372307
H -1.786126 -1.593779 3.051843
H -1.887904 0.092547 3.702693


