%chk=000196432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196432

0 1
O -2.536899 1.051047 0.333621
O -1.524573 -0.487543 -3.686166
O 3.163308 2.189739 2.472168
O 2.541960 3.454556 2.621203
O -4.883871 -0.445185 0.608815
O -6.020063 -0.238650 2.521825
C -0.303800 0.352242 -0.372291
C -0.266929 -0.576523 -1.608791
C -1.484935 1.352738 -0.577894
C -1.948566 1.219141 -2.034204
C -1.291379 -0.018972 -2.601570
C -0.553514 -2.049414 -1.280207
C 0.987911 1.101977 -0.213681
C 1.716116 1.069936 0.904203
C -1.875676 -2.262782 -0.604924
C 3.014313 1.813443 1.062914
C 4.245711 0.922708 0.836636
C 4.497357 0.682170 -0.655269
C -1.995020 -2.735416 0.639446
C 5.722164 -0.215928 -0.873359
C -3.318085 -3.013338 1.287824
C 5.980429 -0.458906 -2.367063
C -3.449341 -2.355002 2.668255
C -3.633796 -0.834788 2.586132
C 7.197901 -1.352986 -2.589836
C -4.962991 -0.478958 1.994851
H -0.522581 -0.247095 0.547055
H 0.738204 -0.528791 -2.099844
H -1.220526 2.394461 -0.295599
H -3.052477 1.159042 -2.108927
H -1.682844 2.107207 -2.638732
H -0.535752 -2.638741 -2.226518
H 0.281389 -2.447930 -0.667218
H 1.294074 1.684586 -1.084276
H 1.419807 0.498007 1.784843
H -3.011917 0.212689 0.091484
H -2.745458 -2.023944 -1.219108
H 3.051853 2.745127 0.455645
H 4.123125 -0.039551 1.370419
H 5.126631 1.410693 1.305594
H 4.644211 1.649141 -1.175335
H 3.603046 0.218808 -1.116939
H -1.125381 -2.968589 1.254701
H 5.580428 -1.183954 -0.355260
H 6.616296 0.243638 -0.408906
H -4.157946 -2.685045 0.636092
H -3.440271 -4.113590 1.390340
H 5.088479 -0.919985 -2.834583
H 6.128410 0.508444 -2.886312
H -2.552262 -2.573280 3.282572
H -4.302690 -2.807044 3.215065
H -3.560432 -0.380782 3.598683
H -2.809513 -0.373697 1.985692
H 8.108594 -0.907408 -2.173212
H 7.070358 -2.335268 -2.120854
H 7.375496 -1.520954 -3.658217
H 1.733178 3.194299 3.155161
H -5.739163 -0.174601 0.183156


%chk=000196432-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196432

0 1
O -1.540448 2.507321 0.867163
O -4.038631 0.985679 -3.097679
O 2.138876 2.626104 1.448271
O 1.128797 3.637373 0.935186
O -2.888631 0.371597 2.327322
O -3.991598 -1.614560 2.795341
C -0.978782 1.004311 -1.084002
C -1.676611 0.627073 -2.414024
C -1.773875 2.256415 -0.556335
C -3.235874 1.979536 -0.966796
C -3.114934 1.180955 -2.273291
C -1.668912 -0.901477 -2.746661
C 0.485798 1.340125 -1.077431
C 1.328861 0.958258 -0.081807
C -2.351263 -1.720743 -1.669183
C 2.559800 1.734575 0.294018
C 3.726948 0.917479 0.867671
C 4.402789 0.041546 -0.212776
C -1.730915 -2.588478 -0.826326
C 5.565560 -0.809141 0.344969
C -2.411185 -3.349391 0.294888
C 6.254538 -1.674687 -0.734313
C -1.713888 -3.158748 1.672791
C -1.602481 -1.686424 2.129273
C 7.414303 -2.526484 -0.174739
C -2.939663 -1.050367 2.442944
H -1.167954 0.183405 -0.362433
H -1.204027 1.160487 -3.266776
H -1.405574 3.171104 -1.052938
H -3.723681 1.317968 -0.220029
H -3.866982 2.875043 -1.084502
H -2.192040 -1.033993 -3.713213
H -0.620991 -1.230810 -2.876968
H 0.820608 2.103997 -1.796794
H 0.999228 0.214606 0.661695
H -1.864935 1.730483 1.406448
H -3.436372 -1.561386 -1.559571
H 2.898476 2.389211 -0.533037
H 3.357126 0.278792 1.694745
H 4.465828 1.616540 1.303922
H 4.784456 0.692150 -1.026887
H 3.646480 -0.624894 -0.675711
H -0.647347 -2.760558 -0.944020
H 5.186114 -1.466880 1.155103
H 6.318545 -0.142272 0.814456
H -3.473514 -3.048532 0.368291
H -2.406469 -4.435477 0.069244
H 5.500448 -2.337879 -1.205895
H 6.634919 -1.015256 -1.541086
H -0.688860 -3.574873 1.624090
H -2.265103 -3.737706 2.436454
H -0.997905 -1.622751 3.057203
H -1.078787 -1.072552 1.376610
H 8.197533 -1.885233 0.271830
H 7.056753 -3.215562 0.613783
H 7.888108 -3.135861 -0.966233
H 0.236516 3.171955 1.090169
H -3.757078 0.750088 2.636879


