%chk=000123677.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123677

0 1
 O    3.969000      0.5359000     -0.4415000    
 O   -3.656400     -0.8798000      -1.477900    
 O    2.668100      -1.095300      -1.485400    
 O  -0.8544000       1.806400     -0.2340000    
 O    7.087700      -2.087400      7.2499998E-02
 O    4.368000      -3.095100     -0.4384000    
 O    6.957000      0.3444000       1.659100    
 O   -5.258300      -2.527300      -1.758500    
 O    5.901300       2.813300       1.403900    
 O    4.651900       2.995700     -0.4938000    
 O   -4.115300       5.211200      0.1765000    
 C   -2.860700     -0.3107000     -0.3901000    
 C    5.875200      -1.426300      0.4369000    
 C    4.792000      -1.741000     -0.5953000    
 C    6.157900      7.4699998E-02  0.5086000    
 C    3.574700     -0.8337000     -0.4148000    
 C   -1.395500     -0.5277000     -0.7125000    
 C    4.859600      0.8642000      0.6187000    
 C   -3.326300      -1.119300      0.7776000    
 C   -3.210200       1.159400     -0.2680000    
 C  -0.4896000      0.5329000     -0.5976000    
 C   -4.278600      -2.033600      0.3645000    
 C   -2.191900       2.115400     -0.1810000    
 C  -0.9027000      -1.786400      -1.099600    
 C    1.343600     -0.9119000      -1.234500    
 C   -4.492700      -1.886100      -1.066900    
 C   0.8727000      0.3416000     -0.8518000    
 C   -2.946200      -1.062700       2.109300    
 C   -4.544500       1.599000     -0.2072000    
 C   0.4557000      -1.975600      -1.360300    
 C    5.103400       2.325500      0.4228000    
 C   -4.890100      -2.920100       1.231600    
 C   -2.495200       3.472400     -2.7300000E-02
 C   -3.547100      -1.946900       3.010100    
 C   -4.847200       2.953900     -6.0600001E-02
 C   -3.822300       3.890400      3.1199999E-02
 C   -4.512600      -2.869500       2.573600    
 H    5.591300      -1.819200       1.421100    
 H    5.192800      -1.645100      -1.612000    
 H    6.736000      0.3793000     -0.3735000    
 H    3.083000      -1.060700      0.5429000    
 H    4.355400      0.7280000       1.583500    
 H   -1.572100      -2.637400      -1.197000    
 H    1.548700       1.187700     -0.7665000    
 H   -2.201200     -0.3527000       2.452400    
 H   -5.365200      0.8886000     -0.2674000    
 H   0.8140000      -2.957700      -1.656800    
 H    7.756300      -1.858700      0.7408000    
 H    5.155500      -3.658200     -0.5311000    
 H   -5.634600      -3.630600      0.8912000    
 H    7.237100       1.274000       1.616000    
 H   -1.689200       4.199400      4.2199999E-02
 H   -3.265300      -1.921400       4.059300    
 H   -5.885800       3.269900     -1.5000000E-02
 H   -4.968100      -3.548600       3.289100    
 H    6.075400       3.772100       1.292000    
 H   -3.284800       5.715400      0.2231000    


%chk=000123677-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123677

0 1
O 4.014887 0.257467 -0.646479
O -3.326053 -0.385998 -1.699514
O 2.729844 -1.695844 -0.436835
O -0.678030 1.729230 0.097955
O 7.363306 -1.858733 0.696485
O 4.734725 -2.838646 1.310704
O 7.540058 0.994424 0.485764
O -4.910904 -1.625239 -2.891976
O 6.396838 2.819481 -1.216852
O 4.081615 2.996326 -1.323124
O -3.852823 5.237408 1.126228
C -2.846923 -0.268856 -0.210483
C 6.209460 -0.960288 0.750804
C 5.001008 -1.805055 0.314878
C 6.417361 0.282798 -0.125272
C 3.742402 -0.930472 0.213618
C -1.375254 -0.628268 -0.199006
C 5.096390 1.093127 -0.104602
C -3.748642 -1.290880 0.481520
C -3.086564 1.163351 0.214983
C -0.375414 0.366444 -0.087957
C -4.611168 -1.903127 -0.448279
C -2.022184 2.092194 0.294984
C -0.943339 -1.967583 -0.388487
C 1.383561 -1.271524 -0.334394
C -4.360448 -1.349623 -1.809260
C 1.002453 0.071226 -0.161003
C -3.794981 -1.645322 1.841843
C -4.396899 1.653765 0.461079
C 0.416720 -2.300379 -0.453360
C 5.083271 2.374887 -0.939737
C -5.545335 -2.885658 -0.062782
C -2.231662 3.454136 0.596763
C -4.728846 -2.631189 2.243178
C -4.639902 2.999982 0.765468
C -3.547319 3.903030 0.825419
C -5.596654 -3.247204 1.302019
H 6.049600 -0.613486 1.796941
H 5.205684 -2.244501 -0.682961
H 6.642866 -0.014126 -1.169995
H 3.404375 -0.580464 1.215272
H 4.880475 1.386908 0.950353
H -1.694512 -2.758116 -0.485838
H 1.732341 0.883767 -0.140108
H -3.128608 -1.173083 2.571103
H -5.241692 0.959761 0.399222
H 0.753573 -3.330935 -0.589492
H 8.167429 -1.327212 0.930424
H 5.578344 -3.346473 1.434335
H -6.202419 -3.343670 -0.809107
H 7.726966 1.793166 -0.075277
H -1.365931 4.123672 0.643201
H -4.784120 -2.925034 3.297217
H -5.649733 3.376360 0.946667
H -6.308839 -4.006977 1.641269
H 6.358879 3.663575 -1.743471
H -3.040033 5.801482 1.120151


