%chk=000044261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044261

0 1
 O   -3.514700      -2.948700      0.1841000    
 O   -2.343100      -1.794200      -1.433000    
 C   0.2502000     -0.4444000      0.4165000    
 C    1.169700      0.5693000      5.0900001E-02
 C   -1.121400     -0.1593000      0.5346000    
 C   -1.629700       1.124900      0.2981000    
 C    2.568500      0.2419000     -6.0800001E-02
 C  -0.7403000       2.151800     -6.6399999E-02
 C   0.6324000       1.861000     -0.1833000    
 C    2.991600      -1.088000      0.1979000    
 C   -2.078700      -1.255200      0.9251000    
 C   0.7049000      -1.742500      0.6635000    
 C    2.054800      -2.059700      0.5560000    
 C   -3.001300       1.408400      0.4165000    
 C   -1.244100       3.442100     -0.3051000    
 C    3.578100       1.170600     -0.4185000    
 C    4.348500      -1.440300      9.7700000E-02
 C   -3.486000       2.693900      0.1765000    
 C   -2.607900       3.710400     -0.1841000    
 C    4.924400      0.8074000     -0.5147000    
 C   -2.635200      -2.003100     -0.2633000    
 C    5.309600     -0.4987000     -0.2564000    
 C   -4.130200      -3.747500     -0.8316000    
 H    1.292600       2.678900     -0.4671000    
 H   -1.630600      -1.970100       1.621400    
 H   -2.911800     -0.8736000       1.523100    
 H   6.1000001E-02  -2.577900      0.9137000    
 H    2.365100      -3.084900      0.7500000    
 H   -3.752000      0.6659000      0.6631000    
 H  -0.5753000       4.252200     -0.5887000    
 H    3.337100       2.208600     -0.6326000    
 H    4.671200      -2.460900      0.2965000    
 H   -4.548800       2.899900      0.2642000    
 H   -2.983000       4.711900     -0.3732000    
 H    5.667200       1.549800     -0.7919000    
 H    6.354000     -0.7859000     -0.3297000    
 H   -4.804000      -4.457200     -0.3443000    
 H   -3.370300      -4.307700      -1.384900    
 H   -4.714400      -3.116000      -1.507600    


%chk=000044261-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044261

0 1
O -3.774709 -2.033384 -0.207142
O -1.939337 -3.466358 -0.208934
C 0.299494 -0.604780 0.500899
C 1.163753 0.487909 0.063492
C -1.095262 -0.381471 0.702432
C -1.679566 0.892714 0.397127
C 2.610475 0.254757 -0.097397
C -0.811814 1.972529 -0.047551
C 0.581401 1.743731 -0.186922
C 3.144451 -1.057715 0.153241
C -1.969310 -1.493116 1.293835
C 0.896879 -1.913761 0.709941
C 2.248514 -2.125601 0.544848
C -3.091942 1.164394 0.497637
C -1.377213 3.263319 -0.336324
C 3.521252 1.279599 -0.493402
C 4.542529 -1.300716 0.003526
C -3.608095 2.425774 0.205125
C -2.744071 3.492727 -0.209296
C 4.894758 1.025213 -0.635048
C -2.515580 -2.447308 0.235067
C 5.414424 -0.274931 -0.385369
C -4.380781 -2.854013 -1.286166
H 1.200060 2.587086 -0.510348
H -1.385159 -2.097364 2.006043
H -2.815167 -1.057939 1.845784
H 0.252807 -2.762705 0.952843
H 2.670094 -3.126381 0.697233
H -3.779952 0.358536 0.766281
H -0.706420 4.066800 -0.663392
H 3.157083 2.292114 -0.691854
H 4.925771 -2.309590 0.197663
H -4.686372 2.604389 0.282547
H -3.165531 4.478971 -0.431631
H 5.568875 1.833531 -0.939056
H 6.486448 -0.469623 -0.497211
H -5.361253 -2.394161 -1.471603
H -4.485055 -3.901012 -0.955909
H -3.748376 -2.819065 -2.188809


