%chk=000021112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021112

0 1
 O  -0.6790000      0.3874000     -0.9893000    
 O    1.960000       3.159700      0.4187000    
 O   0.4188000       2.858800      -1.264500    
 O  -0.8268000      -2.737800      0.2282000    
 O  -0.1653000      -2.812800      -1.863800    
 O    5.273900     -0.2448000      0.9210000    
 O    4.683000      -2.356100      0.8086000    
 N   -4.056100      0.4953000      0.4837000    
 N  -8.3300002E-02  -2.347200     -0.7026000    
 N    4.422500      -1.135100      0.6824000    
 C   -3.026000      0.2998000     -0.5360000    
 C   -5.364400      0.6856000     -0.1414000    
 C   -4.088900     -0.6426000       1.401600    
 C   -1.647800      0.6066000      2.7799999E-02
 C   -5.780400     -0.5447000     -0.9298000    
 C   -5.111900     -0.4291000       2.504300    
 C   0.5729000      9.8999999E-03 -0.5791000    
 C    1.536000      0.9820000     -0.3081000    
 C   0.8854000      -1.341600     -0.4322000    
 C    2.811400      0.6025000      0.1097000    
 C    2.160900      -1.721000     -1.4400000E-02
 C    3.124000     -0.7489000      0.2568000    
 C    1.232500       2.399200     -0.4542000    
 C    1.748400       4.574900      0.3724000    
 H   -3.181600      0.9779000      -1.386400    
 H   -3.027200     -0.7141000     -0.9568000    
 H   -6.134600      0.9560000      0.5886000    
 H   -5.320000       1.547900     -0.8195000    
 H   -4.247200      -1.609600      0.9111000    
 H   -3.121800     -0.7280000       1.909700    
 H   -1.419400     -1.2400000E-02  0.9020000    
 H   -1.593400       1.656000      0.3413000    
 H   -6.725600     -0.3251000      -1.441400    
 H   -5.978700      -1.417100     -0.3011000    
 H   -5.072800     -0.8236000      -1.715300    
 H   -5.014100      0.5615000       2.961800    
 H   -6.140700     -0.5576000       2.154800    
 H   -4.955700      -1.169300       3.297200    
 H    3.564800       1.362300      0.3043000    
 H    2.383500      -2.780700      9.3999997E-02
 H    2.393100       5.040400       1.122400    
 H   0.7061000       4.808100      0.6093000    
 H    2.017100       4.964000     -0.6141000    


%chk=000021112-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000021112

0 1
O -0.550482 -0.593014 -0.446621
O 1.663112 3.047488 -0.776008
O -0.491843 2.266335 -0.395148
O -0.329618 -3.040005 0.858709
O 1.543340 -3.981133 -0.045623
O 5.547766 0.874981 0.796974
O 5.591500 -1.391518 1.090588
N -4.096055 0.091263 0.518571
N 0.858395 -2.966708 0.363849
N 4.980418 -0.285027 0.825352
C -2.915980 0.002900 -0.364710
C -4.905345 1.324102 0.389437
C -4.830591 -1.185866 0.685210
C -1.692666 -0.293080 0.508265
C -5.783191 1.414258 -0.888732
C -5.733786 -1.214938 1.931934
C 0.747048 -0.465164 -0.018799
C 1.449908 0.790300 -0.048029
C 1.509856 -1.637083 0.298549
C 2.833158 0.833119 0.233511
C 2.888686 -1.602281 0.551258
C 3.530190 -0.351358 0.534141
C 0.744917 2.062295 -0.409886
C 1.083034 4.365410 -1.131512
H -2.749411 0.957444 -0.891635
H -3.017339 -0.791694 -1.135610
H -5.548148 1.418106 1.284128
H -4.207251 2.181510 0.416188
H -5.439150 -1.430278 -0.220448
H -4.074610 -1.988614 0.774519
H -1.826754 -1.194097 1.129737
H -1.431090 0.583210 1.122818
H -6.319856 2.380790 -0.916296
H -6.538204 0.607955 -0.920327
H -5.165226 1.341906 -1.802666
H -5.148479 -0.971202 2.836156
H -6.569636 -0.496592 1.855482
H -6.171565 -2.221860 2.057359
H 3.369882 1.783514 0.202061
H 3.448241 -2.517951 0.760335
H 1.950409 4.993237 -1.376046
H 0.518794 4.775970 -0.277549
H 0.409218 4.259972 -1.997785


