%chk=000011887.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011887

0 1
 O    2.252600     -0.7516000     -0.4858000    
 O   0.6503000       2.952100      0.1034000    
 O    2.421200       1.697200     -0.2250000    
 O   -3.976100      -1.186300      0.1158000    
 O   -3.728900      0.9836000      0.3384000    
 N    1.183200       1.832300     -8.0200002E-02
 N   -3.251800     -0.1626000      0.1570000    
 C   0.9084000     -0.5882000     -0.3276000    
 C   0.3558000      0.6765000     -0.1252000    
 C   -1.848400     -0.3059000     -6.3999998E-03
 C   -1.022700      0.8176000      3.5399999E-02
 C   8.2500003E-02  -1.711600     -0.3694000    
 C   -1.295800      -1.570500     -0.2088000    
 C    2.920200      -1.579100      0.4641000    
 C    4.349500      -1.103600      0.6141000    
 H   -1.456300       1.802400      0.1934000    
 H   0.4971000      -2.702300     -0.5350000    
 H   -1.908300      -2.467600     -0.2491000    
 H    2.422300      -1.539100       1.441000    
 H    2.909400      -2.613500      0.1038000    
 H    4.900400      -1.738200       1.313900    
 H    4.863700      -1.113900     -0.3525000    
 H    4.378100     -7.1900003E-02  0.9795000    


%chk=000011887-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011887

0 1
O 2.310233 -0.421395 0.230944
O 0.500891 3.063657 -0.715622
O 2.057975 2.234862 0.733831
O -4.006465 -1.337442 -0.131041
O -3.894051 0.936798 -0.316536
N 1.001274 2.117381 0.010081
N -3.349455 -0.224817 -0.173338
C 0.938193 -0.427179 0.180800
C 0.263560 0.829240 0.031050
C -1.878770 -0.291379 -0.049603
C -1.131425 0.899391 -0.105474
C 0.143878 -1.609461 0.224390
C -1.252598 -1.546359 0.118348
C 3.042183 -1.716009 0.350567
C 4.524965 -1.365826 0.367885
H -1.625769 1.863613 -0.249406
H 0.623463 -2.584214 0.338636
H -1.868921 -2.448426 0.156520
H 2.726722 -2.214407 1.287933
H 2.779108 -2.356520 -0.514383
H 5.124358 -2.288270 0.471297
H 4.819679 -0.859116 -0.565913
H 4.757372 -0.698321 1.213833


