%chk=000099767.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099767

0 1
 O   0.2261000      0.3680000      7.4100003E-02
 O    1.780200       1.758000     -0.9206000    
 N    3.786200      0.6341000      0.3451000    
 C    2.468100      8.1100002E-02  0.6556000    
 C    2.520200      -1.393600      0.2700000    
 C    3.917200      -1.593500     -0.2970000    
 C    4.719300     -0.4885000      0.3581000    
 C    1.481100      0.8457000     -0.1621000    
 C  -0.8248000       1.016100     -0.6496000    
 C   -2.134700      0.3820000     -0.2839000    
 C   -2.603300     -0.7022000      -1.017500    
 C   -2.867800      0.8840000      0.7856000    
 C   -3.820800      -1.291800     -0.6775000    
 C   -4.085300      0.2943000       1.125700    
 C   -4.561800     -0.7937000      0.3940000    
 H    2.237900      0.2113000       1.719100    
 H    1.759400      -1.703300     -0.4538000    
 H    2.402600      -2.011500       1.168400    
 H    4.315300      -2.588600     -7.8599997E-02
 H    3.901400      -1.461600      -1.386000    
 H    4.985500     -0.7549000       1.387600    
 H    5.634500     -0.2597000     -0.1945000    
 H    4.056400       1.343700       1.023700    
 H  -0.6452000      0.9206000      -1.727800    
 H  -0.8392000       2.085300     -0.4036000    
 H   -2.033100      -1.099700      -1.852500    
 H   -2.505000       1.729500       1.363600    
 H   -4.191500      -2.139300      -1.246600    
 H   -4.662100      0.6816000       1.960500    
 H   -5.509600      -1.253000      0.6590000    


%chk=000099767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099767

0 1
O 0.281406 0.584596 0.321424
O 1.882667 1.675861 -0.978314
N 3.996180 0.575647 0.569880
C 2.600837 0.259149 0.940030
C 2.529926 -1.298078 0.900752
C 3.503274 -1.655866 -0.249453
C 4.643703 -0.619229 -0.059679
C 1.589971 0.915602 -0.023764
C -0.807311 1.204972 -0.524927
C -2.079673 0.438358 -0.272005
C -2.394864 -0.707256 -1.046388
C -2.978078 0.848990 0.744794
C -3.582449 -1.432573 -0.805392
C -4.167153 0.126641 0.988359
C -4.471663 -1.016621 0.213338
H 2.342339 0.624478 1.953659
H 1.500514 -1.660570 0.753711
H 2.907375 -1.696862 1.859710
H 3.862338 -2.697741 -0.194260
H 3.007360 -1.512045 -1.227867
H 5.424469 -1.028542 0.611622
H 5.129892 -0.351960 -1.016709
H 4.066737 1.431528 0.006572
H -0.478517 1.161460 -1.577825
H -0.885114 2.264520 -0.223265
H -1.707845 -1.029786 -1.838332
H -2.742572 1.733647 1.348831
H -3.816977 -2.314959 -1.411054
H -4.854463 0.453656 1.776331
H -5.395109 -1.576617 0.398719


