%chk=000067085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067085

0 1
 I   -5.025200       3.131400       2.189100    
 O   -4.319400     -0.5188000      -1.686400    
 O    6.499000      0.4515000     -3.7300002E-02
 C   -1.970500     -0.3337000     -0.9195000    
 C   -1.320300     -0.8130000      0.3981000    
 C   0.2027000     -0.9224000      0.2951000    
 C   -3.479500     -0.4374000     -0.5429000    
 C   0.7891000      0.4836000     -3.3000000E-02
 C   -1.421600       1.067900      -1.241000    
 C   -2.123200      -2.060200      0.7588000    
 C   0.1187000       1.090300      -1.294100    
 C   -3.549300      -1.770600      0.2461000    
 C   0.8412000      -1.437300       1.587300    
 C   -1.676900      -1.261600      -2.135700    
 C    2.315100      0.4539000     -6.3699998E-02
 C    2.334200      -1.665100       1.372200    
 C    3.027300     -0.5427000      0.6390000    
 C   -3.959800      0.6710000      0.3055000    
 C    3.049900       1.461600     -0.7134000    
 C    4.433400     -0.5380000      0.6289000    
 C    4.446500       1.459800     -0.7076000    
 C    5.138800      0.4574000     -4.0899999E-02
 C   -4.350100       1.572500      0.9954000    
 H   -1.526000     -7.4100003E-02   1.189000    
 H   0.4666000      -1.627200     -0.5037000    
 H   0.5351000       1.152800      0.8038000    
 H   -1.729100       1.791700     -0.4773000    
 H   -1.828300       1.432000      -2.192200    
 H   -2.122300      -2.244500       1.838200    
 H   -1.718600      -2.954200      0.2711000    
 H   0.4738000      0.5709000      -2.192000    
 H   0.4172000       2.138300      -1.413800    
 H   -3.885100      -2.598000     -0.3909000    
 H   -4.253900      -1.721200       1.085300    
 H   0.3834000      -2.379100       1.909600    
 H   0.6864000     -0.7135000       2.397900    
 H  -0.6106000      -1.352400      -2.356900    
 H   -2.055300      -2.278000      -1.989300    
 H   -2.152300     -0.8681000      -3.041900    
 H    2.474900      -2.584400      0.7892000    
 H    2.808700      -1.819700       2.349000    
 H   -5.214800     -0.7553000      -1.388800    
 H    2.551800       2.275100      -1.232100    
 H    4.974000      -1.322800       1.154500    
 H    4.985600       2.249200      -1.224500    
 H    6.810200     -0.3149000      0.4744000    


%chk=000067085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067085

0 1
I -5.000283 3.105410 2.246682
O -4.324590 -0.414756 -1.762561
O 6.578741 0.622087 -0.002427
C -1.974375 -0.358809 -0.932654
C -1.328256 -0.840260 0.403572
C 0.202391 -0.957827 0.303750
C -3.497034 -0.421535 -0.533025
C 0.783014 0.449441 -0.044506
C -1.412124 1.036923 -1.286883
C -2.166320 -2.083256 0.811384
C 0.140837 1.026041 -1.339939
C -3.598695 -1.788991 0.249101
C 0.868174 -1.480363 1.593952
C -1.745991 -1.337584 -2.115638
C 2.320953 0.442049 -0.053886
C 2.370517 -1.725968 1.349737
C 3.059408 -0.564263 0.636157
C -3.916709 0.701963 0.334499
C 3.051389 1.476943 -0.698859
C 4.475366 -0.510685 0.655645
C 4.457349 1.533327 -0.682090
C 5.172719 0.527025 0.001827
C -4.334819 1.606280 1.066084
H -1.535738 -0.046479 1.156466
H 0.460460 -1.664383 -0.514809
H 0.463600 1.120822 0.787930
H -1.739039 1.767090 -0.519485
H -1.818145 1.383288 -2.256667
H -2.175381 -2.226793 1.905785
H -1.747450 -3.004455 0.363363
H 0.500906 0.448753 -2.213790
H 0.479671 2.067139 -1.497634
H -3.911442 -2.559604 -0.478124
H -4.359711 -1.745375 1.047260
H 0.388750 -2.420775 1.926319
H 0.727646 -0.737325 2.405833
H -0.687415 -1.349668 -2.423366
H -2.035119 -2.374414 -1.871549
H -2.354224 -1.018868 -2.977880
H 2.484768 -2.641050 0.730788
H 2.889572 -1.935014 2.305361
H -5.272453 -0.287604 -1.502059
H 2.512203 2.268312 -1.229231
H 5.031570 -1.292089 1.194134
H 5.006715 2.336535 -1.181637
H 6.980097 -0.128532 0.501672


