%chk=000048408.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048408

0 1
 O   0.4148000     -0.8138000      -2.221500    
 O   0.2115000      3.8300000E-02   2.391700    
 O    3.418200       2.022100     -0.2230000    
 N    1.852200      0.6793000      -1.237800    
 N    1.750900       1.104300       1.066700    
 C  -0.1534000     -1.1300000E-02 -4.9000001E-03
 C   -1.148400       1.115100     -0.2566000    
 C  -0.9181000      -1.326400      0.2042000    
 C   -2.130300      0.7928000      -1.393200    
 C   3.0000000E-03  -2.547300      0.3135000    
 C   -2.065500       1.315200      0.9106000    
 C   -3.425900      0.3309000     -0.7237000    
 C   0.7202000     -0.1220000      -1.250400    
 C   0.6094000      0.3429000       1.267700    
 C   -3.305900      0.8901000      0.6532000    
 C   0.8894000      -2.727100     -0.9196000    
 C   0.8763000      -2.414200       1.563300    
 C    2.401400       1.331100     -0.1402000    
 H  -0.6316000       2.056900     -0.4826000    
 H   -1.553000      -1.304100       1.098300    
 H   -1.569000      -1.557100     -0.6439000    
 H   -1.795100      8.4899999E-02  -2.153100    
 H   -2.340000       1.724000      -1.939800    
 H  -0.6261000      -3.439800      0.4253000    
 H   -1.771400       1.760400       1.850700    
 H   -3.541800     -0.7555000     -0.6981000    
 H   -4.294000      0.7493000      -1.243300    
 H   -4.122000      0.9305000       1.359700    
 H    1.792400      -2.115600     -0.9702000    
 H   0.3177000      -2.859700      -1.842500    
 H    1.338000      -3.728700     -0.8057000    
 H    1.724600      -1.735700       1.459100    
 H    1.347300      -3.391500       1.741800    
 H   0.2882000      -2.229800       2.465900    
 H    2.380600      0.7318000      -2.104200    
 H    2.204600       1.470500       1.899100    


%chk=000048408-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048408

0 1
O 0.311572 -0.477663 -2.396917
O 0.235354 0.300318 2.405418
O 3.586356 2.044072 -0.290089
N 1.880876 0.809316 -1.309193
N 1.849217 1.179776 1.016635
C -0.116283 -0.005024 -0.015384
C -1.283982 1.132131 -0.201830
C -0.766178 -1.404973 0.205664
C -2.235652 0.909911 -1.431339
C 0.131006 -2.668540 0.407015
C -2.243371 1.195475 0.980317
C -3.645668 0.568354 -0.855238
C 0.691427 0.049224 -1.318055
C 0.654129 0.458312 1.229406
C -3.518576 0.897188 0.620707
C 0.978468 -3.069960 -0.826139
C 1.020946 -2.635543 1.674299
C 2.514236 1.395692 -0.201216
H -0.732253 2.088880 -0.311351
H -1.418442 -1.303091 1.091931
H -1.417643 -1.593006 -0.667586
H -1.859352 0.137544 -2.120881
H -2.286305 1.851651 -2.006149
H -0.611868 -3.481332 0.560793
H -1.912637 1.438295 1.992942
H -3.914425 -0.497840 -0.998576
H -4.442885 1.158804 -1.345844
H -4.369732 0.878102 1.309979
H 1.834218 -2.384901 -0.975519
H 0.383818 -3.065431 -1.755965
H 1.396422 -4.083438 -0.679132
H 1.864256 -1.927515 1.562672
H 1.460345 -3.635374 1.849266
H 0.451933 -2.338040 2.571811
H 2.368159 0.910855 -2.205605
H 2.311717 1.558573 1.849653


