%chk=000042643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042643

0 1
 O   0.5625000      0.4027000      0.6201000    
 O   0.9383000      0.6786000      -1.650500    
 O    4.404500     -0.2743000       1.220600    
 N    2.735600      0.1991000     -0.2619000    
 N    3.188500     -7.4000001E-02   1.129000    
 C   -1.139000      -1.817100      3.6100000E-02
 C   -1.634000     -0.4103000      0.1091000    
 C   -1.324400      -2.432900      -1.363000    
 C   -1.788200      -2.723800       1.097800    
 C  -0.7609000      0.6386000      0.3980000    
 C   -2.986000     -0.1506000     -0.1152000    
 C   -1.240100       1.947100      0.4623000    
 C   -3.465000       1.158000     -5.0799999E-02
 C   -2.592000       2.206700      0.2380000    
 C    1.388000      0.4454000     -0.5292000    
 C    3.712100      0.2068000      -1.340200    
 H  -6.2500000E-02  -1.852400      0.2398000    
 H   -2.381700      -2.539500      -1.628500    
 H  -0.8691000      -3.428300      -1.407400    
 H  -0.8468000      -1.811100      -2.128400    
 H   -1.644500      -2.310800       2.102400    
 H   -1.337500      -3.722100       1.077500    
 H   -2.864700      -2.842500      0.9343000    
 H   -3.685400     -0.9505000     -0.3419000    
 H  -0.5659000       2.769200      0.6873000    
 H   -4.517700       1.360400     -0.2255000    
 H   -2.965000       3.225500      0.2883000    
 H    4.192500     -0.7749000      -1.394000    
 H    4.461800      0.9776000      -1.137700    
 H    3.243600      0.4197000      -2.304700    


%chk=000042643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042643

0 1
O 0.609407 0.558263 0.512068
O 1.001233 0.260260 -1.790142
O 4.381597 0.181776 1.310488
N 2.769989 0.214260 -0.247522
N 3.128225 0.309364 1.135288
C -1.105558 -1.824216 -0.023687
C -1.647960 -0.398583 0.100133
C -1.294807 -2.360014 -1.469243
C -1.755367 -2.773770 1.016917
C -0.815637 0.725248 0.313491
C -3.039995 -0.134309 0.001119
C -1.305634 2.037766 0.446593
C -3.561962 1.170769 0.120083
C -2.694281 2.264377 0.348255
C 1.398367 0.340225 -0.608633
C 3.798449 -0.007031 -1.282895
H -0.020704 -1.802062 0.191108
H -2.368170 -2.427043 -1.727404
H -0.859621 -3.372148 -1.564636
H -0.804648 -1.695113 -2.201134
H -1.607879 -2.402668 2.046800
H -1.306769 -3.781535 0.943934
H -2.842304 -2.878800 0.844064
H -3.724812 -0.973071 -0.169183
H -0.602806 2.856437 0.628943
H -4.641813 1.335603 0.039626
H -3.091083 3.279735 0.449328
H 4.335539 -0.949461 -1.081534
H 4.532239 0.816579 -1.263090
H 3.293765 -0.050538 -2.257435


