%chk=000224454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224454

0 1
O -0.455767 -1.844925 -1.332785
O 2.229558 0.704847 2.224551
O 4.402224 1.599189 -0.241579
O -6.947223 -0.873601 1.247182
O 5.610918 -0.730251 0.567923
O 4.602463 -1.584630 -1.270064
C -1.687657 -0.179637 0.045081
C -1.204673 1.096468 -0.688624
C 1.249519 0.455652 -0.062759
C -3.099420 -0.653470 -0.431566
C 0.135123 1.504290 -0.151194
C -0.623613 -1.305829 -0.019032
C 0.736820 -0.857190 0.543740
C 2.310537 1.176873 0.871935
C -2.238792 2.226522 -0.525584
C -4.080364 0.519764 -0.383033
C -3.621027 1.801054 -1.021334
C -3.561688 -1.783217 0.532408
C 1.953144 2.680335 0.806690
C 0.537820 2.702683 0.299186
C 1.856514 0.229241 -1.450183
C -3.097419 -1.168758 -1.878400
C -5.055235 -2.082996 0.438663
C 3.775155 0.876201 0.489367
C -5.319035 0.418516 0.124168
C -5.879661 -0.832546 0.672298
C 4.320954 -0.394421 1.119298
C 5.627880 -1.309216 -0.692379
C 7.040232 -1.505841 -1.105177
H -1.792828 0.091875 1.129120
H -1.094232 0.866527 -1.779722
H -0.983533 -2.207485 0.536568
H 0.668808 -0.772141 1.646701
H 1.474836 -1.667364 0.361587
H -1.905789 3.124650 -1.081487
H -2.304523 2.530413 0.538495
H -3.610569 1.661727 -2.124977
H -4.346866 2.621673 -0.841488
H -3.318175 -1.506155 1.577623
H -2.987995 -2.707211 0.316943
H 2.636878 3.220030 0.115292
H 2.067010 3.171517 1.788433
H -0.022573 3.621973 0.330463
H 1.109307 -0.155795 -2.160687
H 2.263200 1.155381 -1.877847
H 2.676666 -0.510801 -1.437345
H -4.103970 -1.444274 -2.209553
H -2.703523 -0.426775 -2.579039
H -2.459681 -2.063042 -1.977081
H -5.343655 -2.867759 1.167162
H -5.316291 -2.500153 -0.556083
H -6.007243 1.264731 0.157303
H -0.004715 -1.197017 -1.928786
H 1.400459 1.020131 2.648034
H 3.621985 -1.246051 1.003541
H 4.538660 -0.238261 2.197893
H 7.750943 -1.325966 -0.281243
H 7.303992 -0.807659 -1.918598
H 7.203934 -2.526621 -1.485116


%chk=000224454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224454

0 1
O -0.404246 -1.495326 -1.846827
O 2.004523 0.992924 2.125523
O 4.513868 1.421223 -0.345289
O -6.740048 -1.249053 1.683290
O 5.529514 -0.801934 0.964070
O 4.322598 -1.829649 -0.742184
C -1.611447 -0.188800 -0.135132
C -1.241349 1.204913 -0.741522
C 1.311347 0.619530 -0.297489
C -3.074148 -0.687996 -0.497189
C 0.143147 1.626068 -0.279697
C -0.493595 -1.234797 -0.388667
C 0.870918 -0.785694 0.182833
C 2.324071 1.340787 0.724140
C -2.302356 2.265806 -0.367579
C -4.064093 0.440087 -0.155435
C -3.739301 1.813117 -0.711140
C -3.379475 -1.952290 0.367116
C 2.047131 2.852149 0.493288
C 0.566773 2.854578 0.132875
C 1.911352 0.568455 -1.735270
C -3.260702 -1.025605 -2.012503
C -4.880762 -2.291616 0.471051
C 3.774538 0.903840 0.526379
C -5.216372 0.230193 0.559137
C -5.689964 -1.102389 0.984820
C 4.262317 -0.226930 1.445465
C 5.425013 -1.567871 -0.204773
C 6.788471 -1.992793 -0.689173
H -1.622146 -0.052049 0.971249
H -1.217568 1.087103 -1.845981
H -0.765767 -2.184611 0.117785
H 0.796226 -0.792086 1.287326
H 1.644464 -1.533904 -0.087393
H -2.084856 3.216994 -0.889810
H -2.235264 2.469726 0.720089
H -3.846422 1.781129 -1.815811
H -4.472089 2.554807 -0.344674
H -2.989139 -1.786124 1.392485
H -2.838344 -2.821834 -0.049508
H 2.677726 3.244729 -0.327378
H 2.291187 3.433461 1.401185
H -0.046656 3.758851 0.180030
H 1.115163 0.326151 -2.458106
H 2.359607 1.535964 -2.018469
H 2.698859 -0.202679 -1.805263
H -4.316435 -1.280952 -2.218076
H -2.988911 -0.176322 -2.662477
H -2.614156 -1.867912 -2.300059
H -5.055994 -3.155716 1.135838
H -5.284045 -2.568321 -0.524348
H -5.881615 1.069838 0.800465
H 0.445172 -1.974611 -2.021751
H 1.100626 1.354757 2.318299
H 3.486212 -1.004816 1.539054
H 4.481265 0.174378 2.447809
H 7.443449 -2.250957 0.158027
H 7.255275 -1.147044 -1.226250
H 6.694251 -2.843678 -1.379498


