%chk=000116864.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116864

0 1
 O    2.950100      -1.107100      -1.218700    
 C   -2.196300     -0.5674000     -6.8999999E-03
 C  -0.8977000      0.2561000      4.4000000E-03
 C   -3.025200     -0.2129000      -1.260500    
 C   -3.024800     -0.2488000       1.256500    
 C   -1.967100      -2.095800     -2.8600000E-02
 C   0.2993000     -0.4147000     -6.6000000E-03
 C    1.476900      0.3328000      3.7000000E-03
 C  -0.9955000       1.624700      2.5100000E-02
 C    2.798700     -0.3575000     -7.6000001E-03
 C    1.418200       1.726300      2.4499999E-02
 C   0.1821000       2.372300      3.5100002E-02
 C    2.981100      -1.308000       1.179700    
 H   -3.937100     -0.8191000      -1.314600    
 H   -3.340400      0.8361000      -1.270500    
 H   -2.451000     -0.3932000      -2.177200    
 H   -3.340300      0.7994000       1.296600    
 H   -3.936700     -0.8564000       1.293700    
 H   -2.450300     -0.4550000       2.167400    
 H   -2.924600      -2.631600     -3.3700000E-02
 H   -1.425800      -2.417700     -0.9262000    
 H   -1.421200      -2.442300      0.8569000    
 H   0.3815000      -1.493300     -3.4800000E-02
 H   -1.945100       2.148500      3.3599999E-02
 H    3.610500      0.3794000      1.1000000E-02
 H    2.326400       2.323200      3.2699998E-02
 H   0.1366000       3.457400      5.1300000E-02
 H    2.293900      -2.159700       1.132700    
 H    2.832700     -0.7903000       2.133000    
 H    3.991900      -1.731200       1.169700    
 H    3.828800      -1.523200      -1.197300    


%chk=000116864-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116864

0 1
O 2.632546 -1.764426 -0.838637
C -2.314531 -0.605268 -0.093974
C -0.970124 0.158244 -0.005990
C -3.141942 -0.053967 -1.294607
C -3.117738 -0.391701 1.224506
C -2.116571 -2.128642 -0.300037
C 0.283910 -0.492593 -0.116276
C 1.501498 0.225436 -0.044136
C -0.971753 1.567794 0.185108
C 2.842293 -0.498672 -0.108138
C 1.474868 1.627479 0.138055
C 0.235103 2.294393 0.254920
C 3.415636 -0.775279 1.302233
H -4.111853 -0.582042 -1.365200
H -3.350183 1.025512 -1.185435
H -2.597163 -0.198986 -2.245376
H -3.322714 0.678011 1.409543
H -4.089036 -0.919441 1.170524
H -2.557594 -0.784055 2.093182
H -3.102706 -2.626019 -0.354314
H -1.575475 -2.347545 -1.238675
H -1.555483 -2.584337 0.536576
H 0.345563 -1.570108 -0.283908
H -1.921932 2.107955 0.273255
H 3.563950 0.135023 -0.669604
H 2.412186 2.197289 0.179509
H 0.209798 3.381502 0.392888
H 2.726806 -1.426605 1.868854
H 3.543252 0.165545 1.866754
H 4.404579 -1.271024 1.240690
H 3.454410 -2.312474 -0.767891


