%chk=000076682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076682

0 1
 O   -3.119800       1.229400      0.2988000    
 O    3.119200       1.222000     -0.3376000    
 N   -1.251300      0.2962000     -0.7183000    
 N    1.261300      0.3319000      0.7365000    
 N   -5.697100      -1.126800      0.3849000    
 N    5.680900      -1.152000     -0.3946000    
 C  -0.3975000       1.459700     -0.6443000    
 C   0.4138000       1.497400      0.6415000    
 C   -2.552700      0.2799000     -0.2357000    
 C    2.555200      0.2923000      0.2339000    
 C   -3.207500      -1.069800     -0.4520000    
 C    3.205500      -1.054400      0.4798000    
 C   -4.597300      -1.099200      1.6200000E-02
 C    4.587300      -1.106500     -9.3000000E-03
 H   0.2611000       1.427800      -1.519100    
 H   -1.015800       2.360800     -0.7176000    
 H    1.032700       2.400100      0.6710000    
 H  -0.2408000       1.494800       1.519200    
 H  -0.8657000     -0.5464000      -1.134900    
 H   0.8778000     -0.4954000       1.184500    
 H   -2.619800      -1.827200      7.8900002E-02
 H   -3.171300      -1.306100      -1.521500    
 H    2.604800      -1.823600     -1.8800000E-02
 H    3.185100      -1.258600       1.556400    


%chk=000076682-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000076682

0 1
O -2.970289 1.216636 -0.582173
O 2.974746 1.228142 0.560389
N -0.807114 0.550512 -1.163811
N 0.809616 0.580324 1.155490
N -1.324911 -2.156328 1.274304
N 1.337841 -2.192613 -1.210966
C -0.152006 1.817242 -0.786788
C 0.157026 1.837563 0.744014
C -2.139810 0.320268 -0.898054
C 2.142655 0.341555 0.898832
C -2.520349 -1.195458 -0.901151
C 2.521905 -1.173824 0.944449
C -1.897576 -1.793595 0.291083
C 1.905229 -1.803387 -0.234854
H 0.784383 1.912674 -1.361082
H -0.815676 2.660616 -1.040275
H 0.822342 2.686149 0.974806
H -0.779233 1.950427 1.315387
H -0.207260 -0.242512 -1.415920
H 0.208479 -0.204917 1.428093
H -2.158213 -1.710260 -1.809923
H -3.617792 -1.279308 -0.854476
H 2.154630 -1.664012 1.864723
H 3.619476 -1.259595 0.905804


