%chk=000250262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250262

0 1
Cl 4.685092 1.275735 2.402860
Cl 3.060698 3.811055 -1.456361
O -5.179986 1.961320 -0.888213
O -3.769187 2.496018 0.761508
N 2.442896 0.816217 -0.212672
N -1.154319 -3.479332 -0.321357
C -0.629786 -1.274486 0.047513
C -2.040248 -1.465143 0.288179
C -0.095289 -2.549566 -0.335085
C 1.572695 -0.309992 -0.179585
C 0.216564 -0.157269 0.125300
C -2.994331 -0.404862 0.697090
C -2.326120 -2.806993 0.056842
C 3.906964 0.599864 -0.131381
C 1.977934 2.104604 0.369090
C 2.082885 -1.596231 -0.569714
C 1.267572 -2.706404 -0.648569
C -3.437025 0.421718 -0.521883
C 4.397939 -0.006997 1.185212
C 1.586378 3.054923 -0.763327
C -4.077013 1.706169 -0.099797
H -0.202776 0.799650 0.425692
H -2.517463 0.261934 1.452449
H -3.880739 -0.840361 1.202173
H -3.269647 -3.318634 0.137594
H -1.078947 -4.450970 -0.542023
H 4.416443 1.574450 -0.336820
H 4.204165 -0.069047 -0.976989
H 2.766953 2.566941 1.008219
H 1.102434 1.957422 1.048100
H 3.134878 -1.695022 -0.830855
H 1.661589 -3.674657 -0.945879
H -2.555399 0.653922 -1.164734
H -4.118859 -0.169915 -1.170783
H 3.664681 -0.714949 1.620129
H 5.356357 -0.542186 1.049553
H 0.938923 3.874721 -0.401999
H 1.071094 2.525828 -1.589253
H -5.631099 2.815824 -0.657524


%chk=000250262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250262

0 1
Cl 4.783970 1.117385 2.491945
Cl 2.560781 3.469914 -1.911511
O -4.970879 2.228121 -1.227715
O -4.121810 2.358238 0.927736
N 2.487668 0.777751 0.087584
N -1.177805 -3.493788 -0.312899
C -0.650162 -1.304759 0.090151
C -2.082413 -1.475703 0.281829
C -0.112075 -2.581248 -0.285415
C 1.602770 -0.323017 -0.035717
C 0.208584 -0.182643 0.214222
C -3.067012 -0.392277 0.642012
C -2.358764 -2.821647 0.030027
C 3.924556 0.635401 -0.164844
C 1.990138 2.093961 0.499217
C 2.102650 -1.620241 -0.420848
C 1.263022 -2.741860 -0.544706
C -3.389894 0.525921 -0.570448
C 4.722700 -0.018838 0.974537
C 1.300077 2.900408 -0.611912
C -4.165276 1.765411 -0.173904
H -0.220230 0.776626 0.517844
H -2.672253 0.239414 1.460259
H -4.008499 -0.833975 1.017735
H -3.311854 -3.346686 0.072499
H -1.104557 -4.483341 -0.535171
H 4.345511 1.632022 -0.378976
H 4.096306 0.035400 -1.083021
H 2.829702 2.680961 0.907290
H 1.266855 1.985309 1.334788
H 3.167012 -1.760735 -0.626808
H 1.687285 -3.710141 -0.833206
H -2.443490 0.862462 -1.039788
H -3.943186 -0.018783 -1.353750
H 4.264840 -0.950066 1.337035
H 5.776004 -0.178539 0.693621
H 0.851480 3.828128 -0.222891
H 0.562604 2.310541 -1.174480
H -5.437455 3.060213 -0.939618


