%chk=000096419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096419

0 1
 O   0.4474000      -2.201900     -0.1067000    
 O   -4.210900      0.2571000       1.287800    
 O    4.255900      0.3222000      0.5009000    
 O   -3.937000      6.4800002E-02 -0.9579000    
 N   0.3234000      0.1088000     -0.4147000    
 N    2.342600     -0.9431000      0.1962000    
 C   -1.095400      7.4600004E-02 -0.7492000    
 C   -1.977800      0.2267000      0.4829000    
 C   0.9838000      -1.091900     -0.1113000    
 C   0.9826000       1.320800     -0.4044000    
 C    2.278300       1.446700     -0.1094000    
 C    3.062800      0.2410000      0.2248000    
 C   -3.455600      0.1741000      0.1610000    
 H   -1.314100      0.8596000      -1.484300    
 H   -1.320600     -0.8786000      -1.243700    
 H   -1.773200       1.186100      0.9718000    
 H   -1.758300     -0.5762000       1.196100    
 H   0.3891000       2.195200     -0.6491000    
 H    2.852300      -1.793000      0.4212000    
 H    2.774700       2.409200     -0.1060000    
 H   -5.170600      0.2204000       1.087800    


%chk=000096419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096419

0 1
O 0.313705 -2.112223 0.098432
O -4.260165 0.061710 1.305714
O 4.344016 0.238192 0.523231
O -3.947705 0.372346 -0.975771
N 0.323785 0.178866 -0.432004
N 2.310110 -0.892747 0.284920
C -1.120705 0.111489 -0.760275
C -1.993104 0.087289 0.512049
C 0.946388 -1.025521 -0.005108
C 1.037628 1.372045 -0.522710
C 2.374427 1.468044 -0.221485
C 3.119980 0.288863 0.217789
C -3.464238 0.188840 0.163781
H -1.376446 0.976309 -1.394482
H -1.301032 -0.804508 -1.346003
H -1.739324 0.924136 1.190505
H -1.819579 -0.845125 1.078048
H 0.460165 2.238001 -0.859024
H 2.781857 -1.750701 0.589837
H 2.910368 2.413424 -0.306256
H -5.220730 0.133870 1.052611


