%chk=000188983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188983

0 1
O -2.913087 -2.380692 -0.332947
O -4.657707 -1.115474 -1.003525
O 5.376116 -1.906215 0.804672
C -0.882862 1.323343 0.759714
C -1.586662 0.241925 -0.114871
C 0.541496 1.601679 0.167581
C -0.761773 0.807794 2.216407
C -2.961151 -0.142843 0.482620
C -1.724274 0.717013 -1.572461
C -2.113336 0.389746 2.805515
C -2.812525 -0.652540 1.927368
C -1.660962 2.652984 0.762926
C 0.417445 2.018262 -1.286749
C -0.360344 1.080948 -2.173450
C 1.501468 0.399744 0.283942
C -3.635197 -1.205633 -0.365271
C 2.952843 0.795412 -0.031908
C 0.981955 3.134548 -1.753334
C 3.858089 -0.378562 0.062728
C 4.028666 -1.396951 -0.953866
C 4.685879 -0.724060 1.103498
C -3.443913 -3.492981 -1.100497
C 4.945210 -2.289553 -0.467818
H -0.947362 -0.678290 -0.103765
H 0.979544 2.446314 0.757224
H -0.303967 1.588618 2.851552
H -0.062631 -0.053843 2.250692
H -3.631516 0.756871 0.473314
H -2.403676 1.590192 -1.629814
H -2.197787 -0.070176 -2.190722
H -2.763286 1.278016 2.930613
H -1.965203 -0.020683 3.823157
H -2.235837 -1.601023 1.928760
H -3.806460 -0.898349 2.347093
H -1.701879 3.102307 -0.236851
H -2.693340 2.515198 1.101052
H -1.195695 3.388712 1.426475
H -0.507641 1.517944 -3.181339
H 0.241412 0.161419 -2.335515
H 1.181668 -0.417587 -0.392220
H 1.449040 -0.027470 1.307312
H 3.285988 1.600895 0.654211
H 3.010113 1.236807 -1.051527
H 1.553436 3.816584 -1.144997
H 0.913641 3.455458 -2.780286
H 3.518928 -1.414540 -1.896355
H 4.931185 -0.324572 2.059087
H -2.718988 -4.288795 -0.902411
H -3.478560 -3.223190 -2.160433
H -4.443896 -3.747889 -0.735757
H 5.404292 -3.188120 -0.813023


%chk=000188983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188983

0 1
O -2.934879 -2.337749 -0.559403
O -4.872562 -1.088778 -0.868191
O 5.778972 -1.572202 0.732735
C -0.885705 1.293709 0.801156
C -1.621586 0.243064 -0.107704
C 0.553770 1.594371 0.198437
C -0.776484 0.710804 2.241906
C -3.013163 -0.151951 0.479381
C -1.728180 0.720496 -1.575900
C -2.151325 0.338680 2.843271
C -2.883163 -0.679189 1.940230
C -1.644242 2.651918 0.856986
C 0.420104 2.038160 -1.260727
C -0.334198 1.072147 -2.161947
C 1.570289 0.417932 0.339746
C -3.722746 -1.189493 -0.381145
C 2.975385 0.751916 -0.231436
C 0.923120 3.214347 -1.717757
C 3.971240 -0.362889 -0.013790
C 3.926952 -1.697813 -0.596517
C 5.105472 -0.333391 0.780593
C -3.556706 -3.423069 -1.354230
C 5.025740 -2.392322 -0.126364
H -1.009922 -0.683464 -0.101651
H 0.970018 2.445446 0.780293
H -0.252661 1.437602 2.895580
H -0.162937 -0.210958 2.227109
H -3.682201 0.729142 0.472257
H -2.393852 1.603143 -1.641314
H -2.191285 -0.073106 -2.194318
H -2.776168 1.241955 2.981276
H -2.009582 -0.101408 3.849508
H -2.317744 -1.631178 1.920825
H -3.888482 -0.901805 2.346669
H -1.603086 3.180355 -0.110402
H -2.706266 2.540328 1.134021
H -1.174300 3.311440 1.611569
H -0.439112 1.495133 -3.178021
H 0.245016 0.129349 -2.263567
H 1.187115 -0.495211 -0.156160
H 1.692036 0.166151 1.408975
H 3.344063 1.682436 0.243427
H 2.887140 0.974056 -1.312023
H 1.452658 3.911039 -1.055997
H 0.817784 3.516303 -2.767138
H 3.172690 -2.079754 -1.283325
H 5.566458 0.424342 1.408005
H -2.806607 -4.226401 -1.369694
H -3.783339 -3.070035 -2.374665
H -4.492082 -3.760191 -0.876637
H 5.415442 -3.394708 -0.278133


