%chk=000050414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050414

0 1
 O    3.056400     -1.6000000E-03 -0.5420000    
 O    2.444800      -1.026000       1.420400    
 N   4.2399999E-02  -1.711800      0.1927000    
 N    1.049200     -0.9979000     -0.4335000    
 C   -1.254000      -1.352300     -0.3656000    
 C   -2.339300      -2.306600      0.1740000    
 C   -1.551600      0.1149000     -0.1159000    
 C   -3.709000      -2.062200     -0.4488000    
 C   -2.263300      0.8261000      -1.063200    
 C   -1.102800      0.7014000       1.051900    
 C   -2.536500       2.174600     -0.8341000    
 C   -1.376100       2.050000       1.281300    
 C   -2.092900       2.786500      0.3382000    
 C    2.203900     -0.7070000      0.2601000    
 C    4.305700      0.3715000      5.0400000E-02
 C    5.123200       1.140200     -0.9656000    
 H   -1.204900      -1.513000      -1.453300    
 H   -2.048500      -3.344300     -3.4000002E-02
 H   -2.425500      -2.212300       1.264100    
 H   0.2306000      -2.699000      1.9900000E-02
 H   -4.404100      -2.847100     -0.1324000    
 H   -3.657800      -2.082000      -1.542000    
 H   -4.135600      -1.106800     -0.1305000    
 H   -2.610000      0.3613000      -1.981300    
 H  -0.5670000      0.1506000       1.818800    
 H   0.9373000     -0.7219000      -1.404000    
 H   -3.094100       2.748300      -1.568600    
 H   -1.036200       2.525200       2.196900    
 H   -2.306700       3.836100      0.5173000    
 H    4.119700       1.000500      0.9282000    
 H    4.848000     -0.5300000      0.3564000    
 H    6.086600       1.441700     -0.5451000    
 H    5.301700      0.5305000      -1.857400    
 H    4.585400       2.035300      -1.295100    


%chk=000050414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050414

0 1
O 3.069308 -0.112693 -0.614711
O 2.073749 -0.526564 1.485628
N 0.026341 -1.924564 -0.010011
N 1.175845 -1.336470 -0.558468
C -1.279376 -1.418192 -0.505880
C -2.376113 -2.313698 0.141458
C -1.466971 0.060775 -0.167126
C -3.791805 -2.053607 -0.409556
C -2.110004 0.925939 -1.085875
C -1.048686 0.574290 1.086561
C -2.351128 2.279588 -0.756127
C -1.284820 1.926840 1.415537
C -1.941106 2.783340 0.499568
C 2.080677 -0.649325 0.240288
C 4.139879 0.658206 0.073420
C 5.097534 1.141677 -1.011927
H -1.364545 -1.531466 -1.616922
H -2.109331 -3.378465 -0.032580
H -2.352152 -2.149150 1.234913
H 0.087164 -2.950616 0.014647
H -4.526920 -2.716073 0.081743
H -3.841712 -2.243428 -1.498695
H -4.103216 -1.009375 -0.232355
H -2.421364 0.539965 -2.065541
H -0.507518 -0.082558 1.776344
H 1.326939 -1.301957 -1.574141
H -2.850288 2.937847 -1.476511
H -0.948590 2.315072 2.383705
H -2.121922 3.833177 0.757696
H 3.672663 1.494865 0.624282
H 4.635437 -0.002178 0.808425
H 5.916079 1.727425 -0.554936
H 5.540982 0.289271 -1.554848
H 4.573971 1.785001 -1.739804


