%chk=000158397.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158397

0 1
 O    2.518100       1.204100      0.2065000    
 O    1.869300      -2.211800      0.2632000    
 O   -1.672900       1.176500       1.352900    
 O   -3.263900      0.8222000     -0.2253000    
 N    2.882100     -0.1246000      0.5082000    
 N   -2.582100      -1.837800     -0.2542000    
 C  -0.4600000     -0.7748000     -0.9425000    
 C   0.7996000     -0.1935000     -0.4309000    
 C   -1.551700     -0.8778000      0.1385000    
 C    1.255100       1.058400     -0.3524000    
 C    1.886000     -0.9981000      0.1455000    
 C   -2.267300      0.4419000      0.3750000    
 C   0.5876000       2.315200     -0.7845000    
 H  -0.8261000     -0.1807000      -1.789800    
 H  -0.2402000      -1.769200      -1.353200    
 H   -1.136300      -1.224000       1.092500    
 H    1.215200       2.845800      -1.507700    
 H   0.4241000       2.972400      7.5199999E-02
 H  -0.3803000       2.130100      -1.258500    
 H    3.779900     -0.3112000      0.9359000    
 H   -2.160600      -2.758300     -0.3753000    
 H   -2.958900      -1.584400      -1.167400    
 H   -2.135500       2.028600       1.501700    


%chk=000158397-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158397

0 1
O 2.517004 1.416106 0.091485
O 1.825297 -2.034529 0.756198
O -2.392432 -0.002167 1.982842
O -2.119547 1.332903 0.102436
N 2.847304 0.105860 0.611329
N -2.551964 -1.824163 -0.566203
C -0.371088 -0.740390 -1.056923
C 0.860262 -0.091692 -0.487239
C -1.431133 -1.068867 0.023310
C 1.287316 1.209519 -0.598460
C 1.831063 -0.835577 0.346457
C -1.966709 0.221646 0.666796
C 0.752498 2.426132 -1.281069
H -0.826173 -0.094631 -1.830460
H -0.104335 -1.704309 -1.525878
H -0.966819 -1.691179 0.805714
H 1.075649 2.471510 -2.337491
H 1.109833 3.340066 -0.776920
H -0.349511 2.410227 -1.245767
H 3.591301 0.111039 1.308776
H -3.146842 -2.314021 0.106589
H -3.078714 -1.321019 -1.286670
H -2.811059 0.826538 2.344547


