%chk=000101503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101503

0 1
 O    4.255600       1.784300     -0.3040000    
 O   -4.506000       1.748800      0.5431000    
 N   -2.670700     -0.3426000      0.4173000    
 N    3.692500     -0.4194000      0.3165000    
 N   -4.020300     -0.4927000      0.1440000    
 C  -0.3991000     -0.6516000     -0.4588000    
 C   -1.876200     -0.7353000     -0.7387000    
 C   0.2635000      -1.758900      5.2000001E-02
 C   0.2789000      0.5319000     -0.7155000    
 C    2.323800     -0.4969000      5.7100002E-02
 C    1.631900      -1.681100      0.3113000    
 C    1.647300      0.6095000     -0.4562000    
 C    4.548400      0.6738000      0.1272000    
 C   -4.849400      0.6097000      0.2351000    
 C    5.965100      0.3511000      0.5311000    
 C   -6.285400      0.2694000     -6.1500002E-02
 H   -2.115600     -9.3900003E-02  -1.597500    
 H   -2.123500      -1.759800      -1.049500    
 H  -0.2662000      -2.685400      0.2551000    
 H  -0.2399000       1.399500      -1.113800    
 H    2.146200      -2.551000      0.7119000    
 H    2.114000       1.559000     -0.6781000    
 H   -2.464100     -0.9618000       1.200900    
 H    4.112500      -1.268400      0.6894000    
 H   -4.366500      -1.419600     -8.4700003E-02
 H    5.998500      0.1057000       1.596300    
 H    6.609600       1.214600      0.3447000    
 H    6.333300     -0.4979000     -5.1700000E-02
 H   -6.821200       1.174400     -0.3610000    
 H   -6.352100     -0.4578000     -0.8759000    
 H   -6.750200     -0.1474000      0.8360000    


%chk=000101503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101503

0 1
O 4.483813 1.696118 -0.387746
O -4.414582 1.385542 0.325491
N -2.704065 -0.864334 0.428248
N 3.744238 -0.419157 0.319322
N -4.112336 -0.913610 0.210441
C -0.455484 -0.401636 -0.491909
C -1.944080 -0.429771 -0.794860
C 0.188674 -1.529146 0.081262
C 0.327452 0.740597 -0.783319
C 2.348828 -0.361764 0.031833
C 1.570542 -1.511913 0.340594
C 1.716885 0.775855 -0.534961
C 4.721387 0.557912 0.113692
C -4.910211 0.227288 0.179280
C 6.129033 0.149711 0.547392
C -6.400243 -0.028034 -0.016889
H -2.283309 0.563388 -1.154209
H -2.169408 -1.171460 -1.584570
H -0.407084 -2.413044 0.332286
H -0.154987 1.627001 -1.212536
H 2.052033 -2.393700 0.784472
H 2.313481 1.659857 -0.765293
H -2.517746 -0.208121 1.205170
H 4.066380 -1.297489 0.731402
H -4.519719 -1.848669 0.167977
H 6.486938 0.859608 1.313056
H 6.808111 0.235154 -0.318247
H 6.197488 -0.874748 0.953574
H -6.742779 0.522433 -0.909700
H -6.650284 -1.096409 -0.138547
H -6.954265 0.372744 0.849395


