%chk=000180136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180136

0 1
Cl 2.819227 1.169597 -1.809583
Cl -2.819572 -1.173720 -1.807351
Cl -1.177595 3.553835 2.293295
Cl 1.176725 -3.549032 2.301207
Cl 3.627372 3.568407 -0.114159
Cl -3.627985 -3.568747 -0.106725
O -1.686184 1.234229 0.726917
O 1.685539 -1.232860 0.729810
O -2.558635 1.686198 -1.368835
O 2.558141 -1.689442 -1.364879
N -3.905037 1.094155 0.462230
N 3.904402 -1.093298 0.464957
C -0.000194 -0.001576 -1.346388
C 0.427193 1.178949 -0.526138
C -0.427696 -1.180285 -0.523592
C -0.443934 1.770191 0.413548
C 0.443307 -1.769480 0.417490
C 1.691001 1.778072 -0.675042
C -1.691498 -1.779709 -0.671330
C -5.213534 0.983033 -0.261264
C 5.212948 -0.983765 -0.258693
C -0.066997 2.889960 1.177195
C 0.066263 -2.887568 1.183541
C 2.066829 2.888048 0.095363
C -2.067443 -2.887979 0.101472
C 1.200138 3.454454 1.031445
C -1.200870 -3.452352 1.038890
C -5.842460 -0.374567 0.053345
C -6.112347 2.143410 0.170720
C 5.841896 0.374478 0.053078
C 6.111695 -2.143254 0.175799
C -2.744532 1.373955 -0.216494
C 2.743950 -1.374650 -0.213217
H 0.807609 -0.360193 -2.039444
H -0.807900 0.355514 -2.040343
H -5.002798 1.057911 -1.365132
H 5.002269 -1.060970 -1.362412
H 1.500932 4.319642 1.626456
H -1.501746 -4.316229 1.635761
H -3.873708 0.861425 1.453323
H 3.873009 -0.858406 1.455536
H -6.081347 -0.494460 1.115862
H -5.177449 -1.204328 -0.227766
H -6.777644 -0.509506 -0.503743
H -6.335965 2.124098 1.243306
H -5.645566 3.113788 -0.045386
H -7.069843 2.116026 -0.362833
H 6.080746 0.496605 1.115349
H 5.176914 1.203660 -0.229807
H 6.777102 0.508220 -0.504260
H 6.335252 -2.121679 1.248355
H 5.644894 -3.114072 -0.038279
H 7.069224 -2.117035 -0.357756


%chk=000180136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180136

0 1
Cl 2.727861 1.371838 -2.323897
Cl -2.726880 -1.374527 -2.323678
Cl -1.144957 3.474998 2.347825
Cl 1.142642 -3.472847 2.352938
Cl 3.551297 3.931973 -0.524887
Cl -3.552158 -3.932054 -0.521772
O -1.606778 1.042729 0.621634
O 1.606238 -1.043075 0.623982
O -2.799688 2.276371 -1.035677
O 2.799052 -2.276834 -1.033310
N -3.861868 0.781734 0.445421
N 3.861233 -0.781747 0.447337
C 0.000427 -0.001241 -1.531236
C 0.429734 1.215350 -0.718904
C -0.429570 -1.216741 -0.717664
C -0.413283 1.719703 0.307273
C 0.412697 -1.719997 0.309662
C 1.633492 1.918134 -0.980231
C -1.633396 -1.919486 -0.978749
C -5.243297 0.920487 -0.080421
C 5.242602 -0.920422 -0.078651
C -0.044015 2.857588 1.052548
C 0.042615 -2.856752 1.056263
C 1.997860 3.050479 -0.219976
C -1.998589 -3.050680 -0.217178
C 1.163846 3.530202 0.806850
C -1.165337 -3.529290 0.810786
C -6.044348 -0.341387 0.294233
C -5.903754 2.218595 0.437927
C 6.043369 0.341914 0.295056
C 5.903506 -2.218022 0.440406
C -2.810993 1.458116 -0.091840
C 2.810372 -1.458373 -0.089641
H 0.834241 -0.302053 -2.190118
H -0.832885 0.298716 -2.191147
H -5.154617 0.986995 -1.181146
H 5.153710 -0.987640 -1.179313
H 1.446825 4.409573 1.389362
H -1.448942 -4.407781 1.394319
H -3.681254 0.168031 1.241755
H 3.680644 -0.167887 1.243559
H -6.131190 -0.444289 1.393480
H -5.571328 -1.253506 -0.110973
H -7.067237 -0.271750 -0.113933
H -6.011226 2.193038 1.537893
H -5.295423 3.097026 0.162448
H -6.908115 2.340309 -0.006920
H 6.130297 0.445603 1.394224
H 5.570071 1.253627 -0.110738
H 7.066234 0.272251 -0.113167
H 6.011167 -2.191762 1.540338
H 5.295370 -3.096796 0.165586
H 6.907824 -2.339743 -0.004537


