%chk=000110976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110976

0 1
 O    4.308200      0.6938000     -8.7899998E-02
 O    5.593800       2.542500     -0.1361000    
 C    4.140500     -0.6760000      0.3428000    
 C    2.828500      -1.182100     -0.2413000    
 C    1.649300     -0.3168000      0.2048000    
 C    5.305400      -1.562600     -6.7900002E-02
 C   0.2958000     -0.8275000     -0.2997000    
 C  -0.8895000     -2.9000000E-03  0.2090000    
 C   -2.242700     -0.5056000     -0.3051000    
 C    6.586700     -0.9255000      0.4291000    
 C   -3.434400      0.2724000      0.2597000    
 C   -4.758600     -0.2889000     -0.2650000    
 C    6.738800      0.4486000     -0.1891000    
 C   -5.989400      0.4352000      0.2883000    
 C    5.510600       1.317000     -9.3400002E-02
 C   -7.312100     -0.1088000     -0.2557000    
 C   -8.506900      0.6002000      0.3837000    
 C   -9.824100      8.7099999E-02 -0.1761000    
 H    4.061000     -0.6549000       1.437400    
 H    2.875900      -1.164600      -1.337400    
 H    2.660200      -2.221400      6.4999998E-02
 H    1.626000     -0.2785000       1.301100    
 H    1.783800      0.7137000     -0.1452000    
 H    5.191600      -2.568100      0.3518000    
 H    5.348800      -1.660300      -1.159800    
 H   0.1654000      -1.870800      1.3100000E-02
 H   0.2964000     -0.8233000      -1.396700    
 H  -0.8927000     -2.0600000E-02   1.305900    
 H  -0.7583000       1.044100     -9.0599999E-02
 H   -2.350300      -1.566000     -4.4799998E-02
 H   -2.254600     -0.4456000      -1.400500    
 H    6.563400     -0.8441000       1.522700    
 H    7.447900      -1.550500      0.1689000    
 H   -3.422000      0.2190000       1.354800    
 H   -3.347200       1.330400     -1.4700000E-02
 H   -4.768500     -0.2251000      -1.360200    
 H   -4.827700      -1.353700     -9.7000003E-03
 H    7.567000      0.9693000      0.3046000    
 H    6.985500      0.3550000      -1.253200    
 H   -5.986200      0.3530000       1.382400    
 H   -5.914400       1.503800      5.1399998E-02
 H   -7.340300      2.1900000E-02  -1.344200    
 H   -7.375600      -1.185600     -5.7399999E-02
 H   -8.438000       1.679700      0.2058000    
 H   -8.493000      0.4484000       1.469200    
 H   -9.883500      0.2551000      -1.256200    
 H   -9.939000     -0.9852000      1.2000000E-02
 H   -10.66430      0.6066000      0.2952000    


%chk=000110976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110976

0 1
O 4.347753 0.743853 -0.065563
O 5.588177 2.603370 -0.485044
C 4.214504 -0.698001 0.368443
C 2.868719 -1.176103 -0.191749
C 1.653426 -0.403807 0.366542
C 5.421061 -1.539321 -0.068755
C 0.313239 -0.882714 -0.234074
C -0.908365 -0.126284 0.334352
C -2.254019 -0.599794 -0.259759
C 6.731592 -0.861276 0.378046
C -3.474749 0.154034 0.314547
C -4.822513 -0.325162 -0.270460
C 6.854967 0.521829 -0.293149
C -6.043035 0.425993 0.308158
C 5.582620 1.374251 -0.268183
C -7.392420 -0.057276 -0.269855
C -8.612051 0.693205 0.312663
C -9.956454 0.202304 -0.267234
H 4.170434 -0.660681 1.477162
H 2.896215 -1.086620 -1.295921
H 2.766441 -2.255812 0.044302
H 1.621251 -0.518547 1.470655
H 1.792085 0.674982 0.164751
H 5.324798 -2.544769 0.382342
H 5.411172 -1.669290 -1.169247
H 0.188930 -1.970775 -0.047621
H 0.339996 -0.756752 -1.336666
H -0.932973 -0.247611 1.437696
H -0.785452 0.960221 0.144568
H -2.374750 -1.687731 -0.072787
H -2.232195 -0.474786 -1.362665
H 6.729387 -0.748788 1.480214
H 7.608048 -1.482510 0.119686
H -3.492048 0.034737 1.418256
H -3.357688 1.241043 0.122003
H -4.807173 -0.203662 -1.373920
H -4.938138 -1.412928 -0.079782
H 7.659114 1.132296 0.152351
H 7.116093 0.399148 -1.363577
H -6.054923 0.308330 1.412188
H -5.930004 1.513244 0.113613
H -7.383577 0.062035 -1.373650
H -7.506566 -1.144683 -0.076336
H -8.498386 1.779187 0.117323
H -8.618374 0.575285 1.415643
H -9.988245 0.340040 -1.364689
H -10.107034 -0.874350 -0.061001
H -10.811689 0.752446 0.166985


