%chk=000268776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268776

0 1
Cl 5.299903 -1.044990 2.729143
Cl 5.069124 0.591973 -3.188583
O -1.226314 -1.500425 0.684370
O -0.884383 2.188704 -0.188963
O 0.353012 -0.815071 2.198511
O 0.301140 1.269399 -1.921981
N -3.526700 0.607520 0.356994
N 0.914747 -1.664132 0.066572
N 1.320575 1.962876 0.093215
C -2.688455 0.276356 1.537361
C -2.724940 0.718790 -0.894663
C -4.843149 0.068486 0.291883
C -2.290244 -1.198960 1.641197
C -2.115752 2.120962 -0.977497
C -5.543975 0.026375 -0.932470
C -5.506373 -0.329890 1.476794
C -6.878975 -0.392894 -0.972057
C -6.835901 -0.743807 1.418966
C -7.530074 -0.783782 0.208210
C -7.601520 -0.419745 -2.280969
C 0.073652 -1.273705 1.112790
C 0.274247 1.747542 -0.808902
C 2.340781 -1.724725 0.147556
C 2.705093 1.767688 -0.202994
C 3.035478 -1.381048 1.319040
C 3.141727 1.316809 -1.459777
C 3.034116 -2.155931 -1.004328
C 3.631115 2.056497 0.823093
C 4.425596 -1.480243 1.301301
C 4.513455 1.165119 -1.653649
C 4.425638 -2.242264 -0.973450
C 4.994675 1.893374 0.580724
C 5.140906 -1.908430 0.182969
C 5.455138 1.447927 -0.664234
H -3.235519 0.584278 2.460018
H -1.770236 0.917417 1.502474
H -1.919129 -0.055016 -0.936097
H -3.363423 0.542875 -1.794341
H -1.951567 -1.466497 2.658733
H -3.080548 -1.895072 1.297087
H -1.892108 2.414826 -2.018200
H -2.726174 2.892645 -0.466158
H -5.052482 0.328943 -1.855632
H -5.002656 -0.294603 2.437299
H -7.341725 -1.043032 2.338008
H -8.564144 -1.111701 0.183014
H -8.615949 -0.831029 -2.197811
H -7.067016 -1.029171 -3.023089
H -7.698132 0.592658 -2.699411
H 0.475924 -1.959224 -0.813974
H 1.078836 2.310470 1.029250
H 2.506306 -1.042598 2.217020
H 2.430449 1.087514 -2.261376
H 2.497854 -2.409426 -1.916567
H 3.293410 2.393189 1.801175
H 4.965058 -2.567237 -1.865256
H 5.712319 2.109001 1.374621
H 6.226659 -1.975650 0.204897
H 6.519327 1.320682 -0.851356


%chk=000268776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268776

0 1
Cl 5.588033 -0.728819 2.707032
Cl 5.346982 0.836127 -2.950380
O -1.037197 -2.147013 0.815642
O -1.173776 2.035280 -0.600129
O 0.511026 -1.164966 2.303206
O 0.298654 1.113855 -2.199456
N -3.377210 -0.102479 0.194050
N 1.157532 -2.222249 0.280025
N 1.048858 2.189594 -0.222270
C -2.568945 -0.262406 1.411215
C -2.665234 0.085980 -1.077547
C -4.787529 -0.132752 0.244960
C -2.134805 -1.709472 1.724610
C -2.317558 1.548997 -1.423148
C -5.580418 0.276655 -0.871017
C -5.477313 -0.576605 1.418061
C -6.995063 0.244955 -0.837839
C -6.884357 -0.597348 1.453079
C -7.652597 -0.194785 0.337294
C -7.790934 0.701224 -2.051224
C 0.260979 -1.781004 1.235938
C 0.103180 1.718063 -1.114152
C 2.573659 -2.102368 0.294750
C 2.463600 2.114129 -0.334021
C 3.277532 -1.532354 1.388093
C 3.108360 1.569502 -1.475769
C 3.283377 -2.586301 -0.836567
C 3.233562 2.614893 0.749529
C 4.678363 -1.469238 1.304965
C 4.512830 1.546253 -1.487020
C 4.688179 -2.500491 -0.876798
C 4.639781 2.569979 0.694634
C 5.412041 -1.938390 0.200255
C 5.305373 2.032675 -0.431544
H -3.130901 0.128789 2.278910
H -1.663873 0.364771 1.328393
H -1.730693 -0.501954 -1.059025
H -3.271139 -0.332323 -1.902147
H -1.775709 -1.785833 2.766999
H -2.944827 -2.430055 1.534456
H -2.042760 1.638091 -2.489868
H -3.140427 2.235045 -1.170776
H -5.100369 0.648025 -1.783341
H -4.925752 -0.928236 2.294856
H -7.387343 -0.946572 2.362574
H -8.747040 -0.221571 0.377072
H -8.873890 0.556701 -1.897326
H -7.500685 0.140795 -2.959710
H -7.622837 1.774581 -2.262538
H 0.735790 -2.687186 -0.527201
H 0.668691 2.636213 0.615372
H 2.737263 -1.154509 2.257429
H 2.521746 1.180105 -2.309258
H 2.736936 -3.016586 -1.684142
H 2.733284 3.025541 1.634492
H 5.228639 -2.864807 -1.755860
H 5.227528 2.946651 1.537388
H 6.501905 -1.864147 0.174860
H 6.396196 1.989947 -0.479567


