%chk=000182345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182345

0 1
O -1.382503 -0.710124 2.003754
O -0.996968 -3.008508 0.342938
O -4.963602 -1.315758 -1.852235
O 5.292789 0.335871 -1.571845
O 6.173928 2.000242 -0.085398
C -1.490347 -0.659082 0.521402
C -0.097001 -0.250907 -0.025744
C -2.484917 0.429822 0.149177
C -1.898313 -2.027050 -0.030713
C -3.597142 0.252570 -0.622745
C -3.018420 -2.221353 -0.799485
C 0.826362 0.258760 0.843499
C -3.925576 -1.115861 -1.143948
C 0.061862 -0.393735 -1.527001
C -4.554346 1.375134 -1.003103
C 2.208936 0.709519 0.583623
C 3.026044 0.191833 -0.476378
C -2.592046 -1.171228 2.697869
C 2.766151 1.675985 1.473559
C 4.322983 0.686877 -0.593187
C 4.846001 1.662048 0.282058
C -4.525302 2.567199 -0.072901
C 4.085253 2.177611 1.334262
C -1.257518 -4.386271 -0.104479
C 6.540949 1.015485 -1.138476
C -4.254518 3.843676 -0.444317
H -2.231866 1.417086 0.555123
H -3.299039 -3.201322 -1.198008
H 0.501388 0.346038 1.887686
H -0.897697 -0.209321 -2.043403
H 0.801241 0.321503 -1.922820
H 0.390289 -1.414435 -1.807838
H -4.334660 1.697245 -2.040508
H -5.572703 0.939248 -1.047421
H 2.670825 -0.596287 -1.141419
H -2.797207 -2.238420 2.484205
H -3.480116 -0.566158 2.429897
H -2.367688 -1.048891 3.768950
H 2.144059 2.050418 2.293953
H -4.764841 2.355296 0.981342
H 4.490740 2.926374 2.019111
H -1.254000 -4.446442 -1.208906
H -2.226764 -4.749415 0.285330
H -0.432945 -4.981203 0.312025
H 6.974332 1.552825 -1.995882
H 7.228740 0.265271 -0.703763
H -4.275322 4.669215 0.275955
H -4.007005 4.099115 -1.482397


%chk=000182345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182345

0 1
O -1.392364 -0.680015 2.005579
O -0.993436 -2.995552 0.368826
O -4.971493 -1.337987 -1.843764
O 5.267777 0.420311 -1.631914
O 6.195493 1.965209 -0.046654
C -1.493174 -0.645603 0.522378
C -0.097956 -0.244053 -0.024808
C -2.488358 0.437536 0.135273
C -1.897167 -2.020794 -0.015718
C -3.601170 0.248976 -0.632524
C -3.016655 -2.226239 -0.782108
C 0.837296 0.237559 0.847924
C -3.928234 -1.126725 -1.137281
C 0.053813 -0.371647 -1.528600
C -4.560188 1.365457 -1.025329
C 2.222579 0.681058 0.593971
C 3.017029 0.229261 -0.512857
C -2.602338 -1.140176 2.699251
C 2.807281 1.577401 1.538833
C 4.318466 0.715237 -0.615613
C 4.868527 1.620026 0.316492
C -4.534481 2.567418 -0.107873
C 4.130747 2.070628 1.413936
C -1.249903 -4.378705 -0.063830
C 6.529197 1.064530 -1.183057
C -4.280144 3.842403 -0.495295
H -2.236263 1.430117 0.528640
H -3.294682 -3.211181 -1.169986
H 0.517324 0.308741 1.894745
H -0.918166 -0.241858 -2.037263
H 0.747031 0.387285 -1.928167
H 0.440234 -1.369979 -1.816388
H -4.340241 1.677469 -2.065812
H -5.577680 0.927100 -1.066322
H 2.642217 -0.502766 -1.228783
H -2.798376 -2.211771 2.499566
H -3.493121 -0.545479 2.417504
H -2.385225 -1.000874 3.769758
H 2.202894 1.902291 2.392917
H -4.763040 2.364386 0.950542
H 4.556571 2.764664 2.142679
H -1.245101 -4.450634 -1.167522
H -2.218545 -4.740233 0.329021
H -0.424103 -4.966872 0.359787
H 6.939082 1.666753 -2.008639
H 7.227869 0.283317 -0.828189
H -4.303660 4.675467 0.216147
H -4.043662 4.089040 -1.538074


