%chk=000050407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050407

0 1
 O  -3.9099999E-02 -0.6217000      0.1560000    
 O    2.606700      0.1487000     -0.3293000    
 O    4.648500      4.8400000E-02  0.7293000    
 N    4.016900       1.903800     -0.4730000    
 C   -3.752900     -0.1579000     -0.1740000    
 C   -2.319300      9.7900003E-02  0.2856000    
 C   -4.711000      0.8962000      0.3803000    
 C   -1.351800     -0.9231000     -0.2963000    
 C   -6.133900      0.6645000     -0.1026000    
 C   0.9139000      -1.543800     -0.3555000    
 C    2.293400      -1.156500      0.1415000    
 C    3.828600      0.6435000      3.8100000E-02
 H   -3.793500     -0.1484000      -1.270100    
 H   -4.072500      -1.155000      0.1523000    
 H   -2.261100      7.2700001E-02   1.380900    
 H   -2.000400       1.105700     -8.5000005E-03
 H   -4.693700      0.8752000       1.476200    
 H   -4.385800       1.895900      6.9600001E-02
 H   -1.379900     -0.8849000      -1.391600    
 H   -1.630000      -1.932200      2.9600000E-02
 H   -6.190600      0.7135000      -1.194700    
 H   -6.502000     -0.3156000      0.2173000    
 H   -6.802200       1.428600      0.3067000    
 H   0.8926000      -1.507100      -1.450800    
 H   0.6678000      -2.557600     -2.1199999E-02
 H    3.036400      -1.872200     -0.2272000    
 H    2.302200      -1.147400       1.237700    
 H    4.871200       2.422400     -0.2989000    
 H    3.307500       2.355200      -1.040500    


%chk=000050407-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050407

0 1
O -0.031047 -0.556432 0.549511
O 2.863427 0.361286 0.523208
O 4.003853 -0.555175 -1.332790
N 4.079385 1.735511 -0.813140
C -3.731925 -0.092820 -0.284864
C -2.371085 0.067865 0.430359
C -4.853344 0.751835 0.362532
C -1.267313 -0.777634 -0.211263
C -6.213782 0.590745 -0.349223
C 1.092347 -1.334799 0.025572
C 2.336233 -0.988335 0.836366
C 3.684616 0.430255 -0.618720
H -3.630059 0.196019 -1.352089
H -4.033426 -1.161507 -0.278407
H -2.465862 -0.222659 1.494680
H -2.057152 1.129503 0.415891
H -4.954938 0.464473 1.428794
H -4.554021 1.819643 0.355757
H -1.114661 -0.485406 -1.275548
H -1.538747 -1.858922 -0.190418
H -6.146109 0.900461 -1.409326
H -6.549624 -0.463398 -0.329296
H -6.997700 1.203905 0.132156
H 1.260717 -1.124034 -1.051802
H 0.887512 -2.425317 0.134138
H 3.128489 -1.734030 0.645432
H 2.090773 -0.939287 1.908752
H 4.687548 1.950179 -1.597683
H 3.761893 2.466873 -0.181680


