%chk=000170451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170451

0 1
 O    2.654700      0.2463000       1.846500    
 O   -3.123700     -0.2772000     -0.5320000    
 O    3.071000     -0.1426000      -1.765500    
 O   -1.746900       2.114800     -0.2001000    
 C    2.414100     -0.3231000      0.5536000    
 C   0.9506000     -0.3073000      0.2671000    
 C   0.2727000      0.9074000      0.1654000    
 C    3.244200      0.4473000     -0.4849000    
 C   0.2598000      -1.507700      0.1005000    
 C   -1.096100      0.9220000     -0.1029000    
 C   -1.787000     -0.2782000     -0.2695000    
 C   -1.109100      -1.493000     -0.1676000    
 C   -4.004500     -0.3086000      0.5893000    
 H    2.771600      -1.359900      0.5861000    
 H   0.7964000       1.850000      0.3029000    
 H    2.966500       1.505500     -0.5347000    
 H    4.306900      0.4060000     -0.2208000    
 H   0.7729000      -2.462700      0.1763000    
 H   -1.640900      -2.431900     -0.2969000    
 H    3.610200      0.1884000       2.017900    
 H    3.618700      0.3637000      -2.389300    
 H   -2.676600       1.942100     -0.4283000    
 H   -3.831100      0.5508000       1.244600    
 H   -3.874800      -1.239700       1.149900    
 H   -5.032300     -0.2638000      0.2188000    


%chk=000170451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170451

0 1
O 3.013456 1.114447 1.442562
O -3.129021 0.279089 0.044914
O 2.856276 -1.050468 -1.655787
O -1.697638 2.497770 0.446893
C 2.579685 -0.032288 0.626310
C 1.063794 0.005714 0.534805
C 0.378921 1.246590 0.569382
C 3.226914 0.068847 -0.788680
C 0.338436 -1.193335 0.330979
C -1.014096 1.279511 0.403354
C -1.740437 0.069951 0.191736
C -1.069134 -1.165351 0.159124
C -3.974046 -0.897490 -0.162704
H 2.900329 -0.991004 1.085968
H 0.925616 2.174099 0.755406
H 2.953078 1.049314 -1.231341
H 4.327335 0.003277 -0.710155
H 0.860305 -2.156605 0.342152
H -1.617166 -2.100899 0.011785
H 4.001072 1.103505 1.520655
H 1.869533 -1.045825 -1.766353
H -2.667427 2.317960 0.320619
H -3.909509 -1.588099 0.699841
H -3.689729 -1.429839 -1.090621
H -4.999247 -0.510269 -0.254443


