%chk=000077315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077315

0 1
 O    4.882800     -0.2119000     -0.6213000    
 N    2.191900      0.1060000      8.8200003E-02
 C   0.9308000     -4.6500001E-02  0.5511000    
 C   0.3140000       1.215700       1.131200    
 C  -0.1688000       2.225300      7.6499999E-02
 C   -1.447900       1.819200     -0.6661000    
 C   -2.707000       1.958900      0.1982000    
 C   -3.997200       1.516400     -0.5082000    
 C   -4.051600      3.4800000E-02 -0.8997000    
 C   -4.095800     -0.9170000      0.3030000    
 C   -3.396700      -2.261100      5.9700001E-02
 C   -1.886900      -2.176700     -0.2046000    
 C    2.553700     -0.1852000      -1.296800    
 C    3.237400      0.7548000      0.8757000    
 C   -1.078600      -1.595300      0.9620000    
 C   0.3164000      -1.248400      0.5203000    
 C    3.874800     -0.9440000      -1.323200    
 C    4.528800     -4.4900000E-02  0.7540000    
 H  -0.5006000      0.9792000       1.821200    
 H    1.039200       1.730900       1.771500    
 H  -0.3344000       3.193200      0.5661000    
 H   0.6274000       2.389500     -0.6603000    
 H   -1.559200       2.470600      -1.542000    
 H   -1.338100      0.8022000      -1.049100    
 H   -2.592700       1.413800       1.138100    
 H   -2.821000       3.014400      0.4768000    
 H   -4.850400       1.745000      0.1423000    
 H   -4.127200       2.121100      -1.414300    
 H   -3.224500     -0.1920000      -1.575700    
 H   -4.959800     -0.1297000      -1.494100    
 H   -5.149500      -1.118200      0.5373000    
 H   -3.691200     -0.4525000       1.205100    
 H   -3.873500      -2.759300     -0.7934000    
 H   -3.567100      -2.905500      0.9311000    
 H   -1.700600      -1.605600      -1.120300    
 H   -1.520300      -3.190900     -0.4123000    
 H    2.662600      0.7662000      -1.831800    
 H    1.783300     -0.7665000      -1.816600    
 H    2.978500      0.8165000       1.938800    
 H    3.386800       1.772900      0.4969000    
 H   -1.019900      -2.337100       1.767400    
 H   -1.582100     -0.7266000       1.381300    
 H   0.8751000      -2.094800      0.1193000    
 H    3.773700      -1.940700     -0.8772000    
 H    4.212400      -1.073100      -2.356300    
 H    5.347600      0.4863000       1.249500    
 H    4.436300      -1.030600       1.225800    


%chk=000077315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077315

0 1
O 4.875371 -0.611302 -0.222641
N 2.126087 0.340300 -0.382634
C 0.964134 -0.026635 0.363595
C 0.343860 1.114212 1.171697
C -0.164516 2.305776 0.304391
C -1.470998 1.998014 -0.471498
C -2.733883 2.000973 0.425999
C -4.045351 1.588874 -0.295426
C -4.073804 0.122583 -0.805232
C -4.060317 -0.945521 0.323748
C -3.386842 -2.289036 -0.069563
C -1.880850 -2.171867 -0.423943
C 2.697690 -0.565277 -1.401400
C 3.201413 1.181378 0.197879
C -0.968205 -1.718321 0.756697
C 0.402656 -1.282636 0.276231
C 3.809144 -1.456070 -0.802856
C 4.319971 0.297951 0.798465
H -0.484737 0.714547 1.778160
H 1.077534 1.496622 1.909676
H -0.330667 3.185465 0.960168
H 0.633546 2.581934 -0.411249
H -1.607518 2.749669 -1.275822
H -1.355815 1.018714 -0.975699
H -2.570720 1.336425 1.297975
H -2.864289 3.020166 0.845477
H -4.899274 1.748639 0.395376
H -4.207084 2.271489 -1.155468
H -3.210280 -0.032846 -1.478686
H -4.975011 -0.023221 -1.433903
H -5.100754 -1.146932 0.648827
H -3.545878 -0.537571 1.214848
H -3.923528 -2.722929 -0.938677
H -3.509149 -3.010344 0.765245
H -1.749277 -1.457093 -1.259690
H -1.518636 -3.149230 -0.803342
H 3.154966 0.062395 -2.193296
H 1.898367 -1.169041 -1.863688
H 2.801221 1.864973 0.963602
H 3.638349 1.798100 -0.613304
H -0.878864 -2.563088 1.472805
H -1.467700 -0.901912 1.306318
H 0.948274 -2.065359 -0.269818
H 3.395592 -2.124902 -0.018374
H 4.311333 -2.060269 -1.577204
H 5.176757 0.903729 1.140004
H 3.918584 -0.292726 1.651332


