%chk=000072825.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072825

0 1
 O    5.069400       2.150300     -0.4579000    
 N   -1.944800      3.5200000E-02 -8.6000003E-03
 N   0.9340000      0.1047000     -2.2600001E-02
 N    2.873900      -1.078500      0.2309000    
 N    2.969100       1.228800     -0.2618000    
 N    4.822200      -2.452200      0.5252000    
 C   -1.204700      0.8638000      0.9458000    
 C   -1.174800     -0.7569000     -0.9701000    
 C   0.1495000       1.273500      0.3663000    
 C   0.2029000      -1.100700     -0.4036000    
 C   -3.336500      1.2000001E-03 -1.4000000E-03
 C    2.287300      0.1374000     -2.9300001E-02
 C   -4.071100      0.1975000       1.191400    
 C   -4.073300     -0.2303000      -1.186300    
 C    4.244100      -1.237800      0.2657000    
 C   -5.465600      0.1641000       1.198800    
 C   -5.467800     -0.2635000      -1.179000    
 C    4.352100       1.175000     -0.2498000    
 C   -6.163900     -6.6299997E-02  1.3600000E-02
 C    4.998100     -0.1455000      3.2699998E-02
 H   -1.760900       1.778900       1.183300    
 H   -1.061200      0.3031000       1.877600    
 H   -1.688900      -1.697700      -1.202700    
 H   -1.067600     -0.1899000      -1.903100    
 H   5.1000002E-03   1.913400     -0.5129000    
 H   0.6872000       1.862900       1.118800    
 H   8.8100001E-02  -1.747700      0.4751000    
 H   0.7485000      -1.664200      -1.170500    
 H   -3.559300      0.3668000       2.136100    
 H   -3.563900     -0.3751000      -2.136300    
 H    2.333500      -1.904600      0.4592000    
 H   -6.007900      0.3147000       2.127600    
 H   -6.012000     -0.4400000      -2.102200    
 H   -7.249700     -9.2200004E-02  1.9300001E-02
 H    6.082500     -0.1769000      3.9799999E-02
 H    5.829900      -2.546000      0.5452000    
 H    4.228400      -3.253800      0.6949000    


%chk=000072825-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072825

0 1
O 4.945240 2.187372 1.117072
N -1.951670 0.119204 -0.176563
N 0.934668 0.114719 -0.206398
N 2.904310 -1.190737 0.021805
N 2.936460 1.186521 0.424194
N 4.799879 -2.590494 0.175318
C -1.180150 1.102900 0.617113
C -1.212448 -0.653268 -1.183145
C 0.185169 1.376876 -0.033243
C 0.180318 -1.068388 -0.660990
C -3.344680 0.005571 -0.019839
C 2.289232 0.079986 0.092987
C -3.996212 0.601184 1.105777
C -4.156697 -0.696102 -0.965247
C 4.288615 -1.293671 0.258351
C -5.390416 0.485891 1.275843
C -5.549117 -0.809064 -0.774950
C 4.331707 1.141154 0.745859
C -6.183702 -0.222802 0.344314
C 5.004032 -0.160300 0.586691
H -1.738154 2.058820 0.670353
H -1.029131 0.747925 1.659364
H -1.765134 -1.581422 -1.409402
H -1.095540 -0.097792 -2.139685
H 0.051677 1.882965 -1.010061
H 0.803478 2.038504 0.595029
H 0.040610 -1.798091 0.168495
H 0.719087 -1.578407 -1.486799
H -3.413239 1.136206 1.861223
H -3.714894 -1.126993 -1.869376
H 2.342242 -2.043334 0.042667
H -5.858422 0.949682 2.152130
H -6.144373 -1.349684 -1.520341
H -7.266008 -0.310342 0.483013
H 6.085832 -0.200194 0.733650
H 5.761635 -2.738920 0.471336
H 4.417696 -3.253973 -0.497348


