%chk=000161161.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161161

0 1
 O    2.067300      -2.492700      0.4261000    
 O    2.994400       2.085700     -0.6300000    
 O    3.831100     -0.5488000     -0.4588000    
 O   -2.160700      -1.286200      -1.368200    
 O   -3.888100      -1.145900      9.5399998E-02
 N   -3.608400       1.584100      0.1019000    
 C   -1.441800      0.8522000      0.9883000    
 C   -2.424300      0.7796000     -0.1910000    
 C  -2.9999999E-02  0.4771000      0.6005000    
 C   0.8364000       1.463700      0.1601000    
 C   0.3689000     -0.8460000      0.6927000    
 C    1.671700      -1.192400      0.3343000    
 C    2.139100       1.117300     -0.1984000    
 C    2.556800     -0.2108000     -0.1113000    
 C   -2.912500     -0.6369000     -0.4416000    
 H   -1.776900      0.2100000       1.814300    
 H   -1.416800       1.869700       1.403100    
 H   -1.981800       1.168700      -1.115400    
 H   0.5063000       2.496900      9.1300003E-02
 H  -0.3167000      -1.613300       1.042100    
 H   -3.335600       2.557800      0.2327000    
 H   -4.016700       1.289100      0.9887000    
 H    2.995400      -2.550900      0.1397000    
 H    2.533000       2.941900     -0.6247000    
 H    4.296600      0.2578000     -0.7409000    
 H   -2.489600      -2.195400      -1.533800    


%chk=000161161-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161161

0 1
O 2.047785 -2.527485 0.724339
O 3.084589 1.848824 -0.939590
O 3.787117 -0.766546 -0.483691
O -1.982738 -0.709364 -1.784184
O -3.256585 -1.406927 0.027151
N -3.864482 1.387121 0.299825
C -1.465657 0.982564 1.090783
C -2.519674 0.941255 -0.087758
C -0.063956 0.546199 0.700183
C 0.822425 1.467805 0.081293
C 0.352498 -0.790911 0.915276
C 1.637487 -1.208082 0.510980
C 2.103734 1.039021 -0.318272
C 2.516040 -0.291325 -0.107908
C -2.647795 -0.497019 -0.580898
H -1.861802 0.347489 1.905025
H -1.458839 2.027980 1.456600
H -2.146547 1.562047 -0.919897
H 0.510065 2.507481 -0.081403
H -0.308966 -1.518207 1.396397
H -3.915784 2.349476 0.642333
H -4.367366 0.712998 0.885693
H 2.976096 -2.635885 0.387315
H 2.758768 2.768139 -1.087809
H 4.301879 -0.031037 -0.903411
H -2.041192 -1.673310 -2.031274


