%chk=000114505.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114505

0 1
 O   0.2596000      0.7716000     -0.2353000    
 O    1.961100      -2.853300      0.7707000    
 O    4.356100      -1.824300      1.9999999E-04
 O    4.456400       2.922700      0.1540000    
 O   -4.332700      0.4848000       2.182500    
 O   -6.000700      0.5214000     -4.0700000E-02
 C  -0.4468000     -0.4022000     -0.6683000    
 C   1.4000000E-03  -1.636500      0.1131000    
 C    1.478300      -1.898300     -0.1683000    
 C    2.267300     -0.6180000     -8.0200002E-02
 C    1.619500      0.6253000     -0.1272000    
 C   -1.930700     -0.1544000     -0.4970000    
 C    3.667100     -0.6464000      8.9999996E-03
 C    2.353900       1.811000     -3.4200002E-02
 C   -2.459900      5.3900000E-02  0.7762000    
 C   -2.767000     -0.1359000      -1.612600    
 C    4.399500      0.5391000      8.8399999E-02
 C    3.742600       1.766800      7.2400004E-02
 C   -3.826900      0.2813000      0.9340000    
 C   -4.134200      9.1399997E-02  -1.454900    
 C   -4.664100      0.3000000     -0.1816000    
 H  -0.2300000     -0.5435000      -1.736600    
 H  -0.1326000      -1.491200       1.193800    
 H  -0.5894000      -2.522300     -0.1512000    
 H    1.596700      -2.318900      -1.173800    
 H    1.837100       2.767700     -5.4600000E-02
 H   -1.811100      5.2400000E-02   1.648300    
 H   -2.369100     -0.2969000      -2.610800    
 H    2.039900      -2.417900       1.636900    
 H    5.484300      0.5143000      0.1600000    
 H   -4.775000      0.1034000      -2.332500    
 H    5.308900      -1.640900      6.5200001E-02
 H    3.841600       3.675900      0.1273000    
 H   -3.608700      0.4362000       2.830200    
 H   -6.419800      0.4991000     -0.9182000    


%chk=000114505-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114505

0 1
O 0.263366 0.744995 0.031223
O 1.969511 -2.952497 0.785261
O 4.370646 -1.825494 -0.488405
O 4.575543 2.910952 0.497400
O -4.438964 1.057044 2.028286
O -6.114534 0.431949 0.001396
C -0.450891 -0.376145 -0.658436
C 0.008287 -1.701760 -0.026398
C 1.527859 -1.944180 -0.209161
C 2.311398 -0.640390 -0.115145
C 1.662381 0.611374 0.070612
C -1.936137 -0.118441 -0.521676
C 3.734438 -0.613534 -0.185206
C 2.375323 1.811885 0.290357
C -2.472088 0.374887 0.693196
C -2.813516 -0.423797 -1.584799
C 4.476865 0.567011 0.028306
C 3.784145 1.770304 0.285290
C -3.860416 0.558641 0.852494
C -4.207839 -0.254483 -1.427621
C -4.743823 0.233514 -0.216409
H -0.157736 -0.346205 -1.729155
H -0.228439 -1.665792 1.054701
H -0.558809 -2.546319 -0.453892
H 1.734997 -2.453804 -1.166311
H 1.815394 2.743407 0.424257
H -1.787027 0.645480 1.506432
H -2.417216 -0.794293 -2.536896
H 2.065487 -2.498153 1.662007
H 5.571211 0.579723 -0.010782
H -4.885131 -0.495536 -2.257356
H 5.353985 -1.711972 -0.490851
H 4.009316 3.705405 0.660542
H -3.735611 1.257781 2.695304
H -6.629376 0.175844 -0.804366


