%chk=000228955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228955

0 1
Cl -5.571265 -1.272749 -1.201578
Cl -2.481402 3.081555 0.363199
Cl -4.811251 2.018368 -1.968849
Cl -5.697697 1.687451 0.701737
Cl -2.686841 -1.511957 -2.580242
Cl -0.736815 1.233998 -1.592097
O -3.219860 -3.058630 0.807760
O -0.657125 0.555974 2.109320
N -1.690431 -1.441084 1.497078
C -3.863535 -0.680853 0.882919
C -2.993129 0.546492 1.324112
C -4.258772 -0.333763 -0.584089
C -2.987618 1.457558 0.059746
C -4.470691 1.232354 -0.454364
C -2.983625 -0.335409 -1.436139
C -2.231303 0.724455 -1.054934
C -2.952565 -1.906719 1.015469
C -1.619914 -0.027160 1.691788
C -0.500827 -2.327442 1.616152
C 0.247636 -2.408765 0.278082
C 1.476253 -3.318519 0.396898
C 2.254194 -3.413386 -0.923262
C 3.036929 -2.138350 -1.266392
C 4.282030 -1.959520 -0.387331
C 5.040255 -0.673796 -0.742998
C 6.291300 -0.499438 0.128702
C 7.068746 0.780336 -0.209466
C 6.359296 2.047030 0.287245
C 7.157158 3.312433 -0.057268
C 6.454381 4.574953 0.437114
H -4.769702 -0.821949 1.515692
H -3.416124 1.087318 2.201644
H -0.848829 -3.335641 1.939235
H 0.158774 -1.919009 2.416472
H 0.560930 -1.395131 -0.046837
H -0.428644 -2.785239 -0.515396
H 1.162585 -4.334529 0.707858
H 2.147216 -2.947327 1.197349
H 1.556331 -3.647297 -1.751329
H 2.949892 -4.274425 -0.872556
H 3.336374 -2.171069 -2.332227
H 2.377175 -1.253972 -1.167468
H 4.949922 -2.835002 -0.498313
H 3.986854 -1.939022 0.680001
H 5.326848 -0.686163 -1.811942
H 4.374597 0.202993 -0.620895
H 6.007114 -0.495032 1.198825
H 6.958289 -1.374204 0.000001
H 7.232754 0.843908 -1.302444
H 8.078930 0.720558 0.240992
H 5.346003 2.109439 -0.154644
H 6.202873 1.987110 1.381345
H 8.170201 3.251288 0.386116
H 7.309870 3.374661 -1.152420
H 7.029958 5.472910 0.186998
H 6.320983 4.562617 1.524892
H 5.460814 4.685790 -0.011960


%chk=000228955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228955

0 1
Cl -4.806578 0.067811 -1.788490
Cl -1.300090 3.128937 1.525302
Cl -3.298793 3.256620 -1.404769
Cl -4.783590 2.335404 1.022858
Cl -1.598807 -0.551946 -2.740957
Cl 0.578505 1.346413 -0.688107
O -3.176319 -2.743992 -0.044129
O -0.277258 -0.229814 2.656035
N -1.533548 -1.711593 1.307729
C -3.380936 -0.351593 0.665231
C -2.417138 0.485970 1.571647
C -3.407738 0.468360 -0.683664
C -2.003776 1.693382 0.641467
C -3.364431 1.939462 -0.116792
C -2.006508 0.405299 -1.311335
C -1.170389 1.134932 -0.522237
C -2.736173 -1.742474 0.562192
C -1.268979 -0.468730 1.932105
C -0.602601 -2.856627 1.381883
C 0.400723 -2.845848 0.206468
C 1.465965 -3.955010 0.346401
C 2.398455 -4.061322 -0.888808
C 3.127141 -2.749260 -1.277750
C 4.052311 -2.178958 -0.178385
C 4.739964 -0.859141 -0.595347
C 5.704841 -0.312890 0.482689
C 6.412447 1.008929 0.094756
C 5.470643 2.232640 0.000063
C 6.221311 3.550464 -0.300431
C 5.283674 4.774605 -0.379637
H -4.404368 -0.426704 1.063667
H -2.898486 0.876162 2.481414
H -1.208214 -3.780144 1.370234
H -0.068408 -2.779877 2.345821
H 0.894690 -1.856870 0.173700
H -0.150023 -2.971659 -0.745904
H 0.963753 -4.932882 0.495574
H 2.067332 -3.770396 1.259071
H 1.800162 -4.407209 -1.756607
H 3.153615 -4.850374 -0.695249
H 3.730469 -2.938173 -2.189258
H 2.383355 -1.977205 -1.563012
H 4.824736 -2.934121 0.078955
H 3.472568 -1.998685 0.749897
H 5.301799 -1.017276 -1.540224
H 3.958781 -0.104337 -0.819750
H 5.145723 -0.161865 1.430169
H 6.471216 -1.087380 0.693731
H 6.935879 0.873708 -0.875329
H 7.200480 1.229326 0.844514
H 4.707868 2.066942 -0.787813
H 4.914660 2.338535 0.955445
H 6.986566 3.718838 0.485038
H 6.775911 3.443612 -1.255345
H 5.844257 5.703067 -0.594841
H 4.741778 4.919767 0.574053
H 4.527075 4.644167 -1.176636


