%chk=000216229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216229

1 1
Cl 3.937919 -2.762607 2.405473
Cl 8.459107 -0.227881 1.018712
Cl 2.184508 1.991529 -2.468839
Cl -2.779544 4.027609 -2.506471
F -8.029016 0.974380 1.556636
O 1.921923 0.022810 -0.385447
O -1.915328 -0.412242 0.935423
N 0.844162 -2.618247 -0.650146
N -1.372253 -2.410951 -0.788075
C 2.542923 -1.064831 0.333085
C 2.280208 -2.270956 -0.604575
C 4.028683 -0.861129 0.486174
C -0.184457 -1.704701 -0.762087
C 0.297007 -3.911190 -0.600134
C -1.085202 -3.783127 -0.681094
C -2.709044 -1.805872 -0.824696
C 1.672905 1.230402 0.399865
C 4.755452 -1.589138 1.440430
C 4.717398 0.057381 -0.320621
C 0.548104 1.909011 -0.324040
C -2.894462 -0.784151 0.327413
C 6.124941 -1.410388 1.625733
C 6.089351 0.257913 -0.159957
C 6.777714 -0.474360 0.814455
C -4.269181 -0.342202 0.602240
C 0.705635 2.319810 -1.657952
C -0.673651 2.162771 0.318077
C -5.313501 -0.444071 -0.338184
C -4.520473 0.228087 1.869441
C -0.309834 2.978076 -2.353560
C -1.704707 2.824255 -0.352708
C -1.509154 3.224457 -1.679061
C -6.592729 0.002624 -0.023047
C -5.795323 0.674848 2.206859
C -6.809817 0.551953 1.250040
H 2.035590 -1.181035 1.321580
H 2.627982 -2.010843 -1.640198
H 2.875947 -3.154794 -0.266656
H -0.057048 -0.605758 -0.789470
H 0.894877 -4.811235 -0.513185
H -1.843025 -4.556617 -0.673409
H -3.491982 -2.602181 -0.762082
H -2.869155 -1.287425 -1.805623
H 1.424035 0.963105 1.442020
H 2.606632 1.828271 0.382092
H 4.164228 0.620336 -1.080719
H 6.674345 -1.981222 2.380298
H 6.622066 0.978188 -0.786630
H -0.827708 1.834580 1.350153
H -5.133790 -0.860963 -1.330249
H -3.700457 0.315616 2.591687
H -0.166802 3.303461 -3.387782
H -2.646480 3.040080 0.155395
H -7.407876 -0.068587 -0.748361
H -5.995742 1.110551 3.189878


%chk=000216229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216229

1 1
Cl 4.116815 -2.684962 2.489823
Cl 8.617650 -0.290434 0.313651
Cl 2.928851 3.158379 -1.681699
Cl -2.215650 5.098978 -2.249361
F -8.349464 0.930567 1.086557
O 1.768175 -0.027720 -0.345091
O -2.118688 -0.628881 1.075592
N 0.750387 -2.768033 -0.452345
N -1.453285 -2.697603 -0.565194
C 2.509062 -1.121154 0.296577
C 2.179996 -2.371063 -0.551220
C 4.020235 -0.902798 0.314694
C -0.311521 -1.980576 -0.783521
C 0.273913 -4.007113 0.007734
C -1.107154 -3.961570 -0.055550
C -2.816479 -2.163264 -0.685841
C 1.681720 1.208511 0.498363
C 4.857688 -1.551379 1.251609
C 4.641296 -0.063905 -0.644636
C 0.749993 2.172678 -0.190364
C -3.090273 -1.067658 0.394341
C 6.252873 -1.382617 1.276341
C 6.037575 0.131023 -0.655471
C 6.825137 -0.531122 0.308300
C -4.477590 -0.576388 0.543694
C 1.175381 3.089700 -1.183290
C -0.628426 2.185204 0.151814
C -5.544722 -1.012996 -0.296057
C -4.743028 0.379152 1.570367
C 0.296043 3.985276 -1.821341
C -1.541404 3.066159 -0.464087
C -1.062115 3.955577 -1.446815
C -6.845187 -0.508419 -0.121388
C -6.036896 0.888028 1.761393
C -7.061909 0.431315 0.906598
H 2.142088 -1.273298 1.334388
H 2.423562 -2.158078 -1.606529
H 2.786561 -3.224463 -0.210575
H -0.229485 -0.953332 -1.123410
H 0.937320 -4.802816 0.331706
H -1.848241 -4.708951 0.209725
H -3.526570 -2.999767 -0.584667
H -2.956702 -1.724797 -1.690962
H 1.283628 0.924353 1.492177
H 2.697477 1.627181 0.617908
H 4.010145 0.454386 -1.374081
H 6.871689 -1.893030 2.018211
H 6.504648 0.786787 -1.394875
H -0.990273 1.488483 0.916462
H -5.378359 -1.739533 -1.098137
H -3.918725 0.701070 2.214229
H 0.657520 4.684779 -2.578826
H -2.597162 3.072252 -0.179704
H -7.678456 -0.823857 -0.754792
H -6.263761 1.615141 2.545669


