%chk=000003231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003231

0 1
 O    3.819400       1.168900      -1.507200    
 O    3.694900       2.307800       2.514400    
 O   -2.116900       3.363400      -2.183700    
 O   -3.406900       1.171900      -1.014300    
 O    1.745300      -3.296400      -2.014500    
 O    3.349900      -1.961100      -1.028000    
 C    1.717400       1.427900     -0.3084000    
 C    2.243200      0.9932000       1.078000    
 C    2.924300       2.130300     -0.9519000    
 C    3.609900       2.900700      0.1779000    
 C    3.235300       2.094500       1.399100    
 C    1.198500      0.7934000       2.161700    
 C   0.5307000       2.345400     -0.2797000    
 C  -0.6421000       2.067900     -0.8680000    
 C   0.2016000     -0.2577000       1.776100    
 C   -1.829200       2.989500     -0.8389000    
 C   -3.055600       2.307800     -0.2378000    
 C   0.4944000      -1.505800       1.551700    
 C   0.7645000      -2.758400       1.322700    
 C    2.135900      -3.363500       1.408400    
 C   -3.993200      0.1251000     -0.3506000    
 C    2.588100      -3.967000      8.1600003E-02
 C   -4.768200      0.3732000      0.7761000    
 C   -3.805400      -1.172400     -0.8117000    
 C    2.625800      -2.948400      -1.032900    
 C   -5.364000     -0.6918000       1.451700    
 C   -4.401200      -2.237400     -0.1362000    
 C   -5.180500      -1.997000      0.9955000    
 C    1.684100      -2.404000      -3.131400    
 H    1.465700      0.5239000     -0.8789000    
 H    2.845600      8.2000002E-02  0.9588000    
 H    2.643400       2.808300      -1.765700    
 H    3.190300       3.904400      0.2898000    
 H    4.696100       2.933000      6.5200001E-02
 H   0.6757000       1.730600       2.387800    
 H    1.685000      0.4992000       3.100800    
 H   0.6374000       3.285000      0.2578000    
 H    3.335600      0.6857000      -2.198700    
 H  -0.7491000       1.133300      -1.414000    
 H  -0.8443000      3.5399999E-02   1.757000    
 H   -1.603300       3.903800     -0.2783000    
 H   -2.816000       2.044600      0.8012000    
 H   -3.903600       3.003000     -0.2502000    
 H   -2.881600       3.963900      -2.164100    
 H  -5.7300001E-02  -3.425300       1.077400    
 H    2.861900      -2.607500       1.733400    
 H    2.127100      -4.146400       2.175600    
 H    1.924700      -4.794800     -0.1989000    
 H    3.592900      -4.394000      0.1766000    
 H   -4.961200       1.375700       1.145700    
 H   -3.198000      -1.363500      -1.691800    
 H   -5.976500     -0.5048000       2.328800    
 H   -4.258100      -3.253900     -0.4911000    
 H   -5.645500      -2.826200       1.520600    
 H    2.658600      -2.348000      -3.626000    
 H    1.358800      -1.411600      -2.804900    
 H   0.9518000      -2.797300      -3.841500    


%chk=000003231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003231

0 1
O 3.276433 0.555083 -2.208111
O 4.033846 2.374320 1.603230
O -2.613405 3.351993 -1.631277
O -3.841669 1.205292 -0.328849
O 4.354577 -2.835573 -1.907409
O 4.269927 -2.226586 0.339300
C 1.436937 1.065339 -0.572732
C 2.333447 0.808761 0.681849
C 2.459162 1.637942 -1.618820
C 3.427078 2.507435 -0.800171
C 3.363665 1.949190 0.632503
C 1.634610 0.668252 2.043097
C 0.321646 2.057716 -0.322182
C -0.992354 1.818408 -0.561524
C 0.840694 -0.620219 2.224786
C -2.090137 2.839018 -0.344569
C -3.256287 2.283713 0.490701
C 0.849571 -1.667401 1.401999
C 0.889195 -2.726164 0.593233
C 1.885372 -3.873963 0.722237
C -4.963302 0.516595 0.169766
C 2.795795 -4.024620 -0.521001
C -5.564227 0.781232 1.424407
C -5.479181 -0.495408 -0.676417
C 3.853720 -2.931609 -0.608584
C -6.689368 0.021256 1.822637
C -6.599751 -1.243065 -0.264286
C -7.212809 -0.989789 0.987802
C 5.473838 -1.869327 -2.101347
H 0.997756 0.120956 -0.944923
H 2.917583 -0.119439 0.490105
H 1.943675 2.195882 -2.423967
H 3.118138 3.569213 -0.788452
H 4.455030 2.468404 -1.198749
H 0.954753 1.528079 2.210082
H 2.407335 0.734563 2.836152
H 0.617130 3.045830 0.069631
H 2.678086 -0.091580 -2.661983
H -1.316023 0.840471 -0.946211
H 0.225312 -0.675222 3.136901
H -1.682473 3.732935 0.160240
H -2.899287 1.880774 1.459237
H -4.014000 3.073893 0.661781
H -3.174832 2.630425 -2.021097
H 0.153516 -2.811511 -0.223987
H 2.513713 -3.718221 1.615465
H 1.328476 -4.821890 0.860885
H 2.213547 -4.038053 -1.460014
H 3.333812 -4.993111 -0.477253
H -5.173783 1.558627 2.087627
H -4.993200 -0.678451 -1.639994
H -7.154720 0.226071 2.793356
H -6.996261 -2.024903 -0.921500
H -8.083724 -1.572500 1.305011
H 5.824424 -2.056340 -3.126386
H 6.270928 -2.063197 -1.364299
H 5.094164 -0.841028 -1.985826


