%chk=000186356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186356

0 1
Cl -2.844017 -2.534797 -1.451008
Cl -4.891403 1.879649 0.969695
O 2.002976 4.304882 -0.327875
O 4.497512 0.092414 -1.451787
O -4.903406 -2.476051 1.330493
N 3.987138 -1.401197 0.162549
N 4.936599 -3.429106 0.582843
C 1.344910 0.296465 0.085420
C 0.214587 1.342171 0.365384
C 2.784103 0.892708 0.094209
C 1.061210 -0.415518 -1.249539
C 0.372013 2.577460 -0.550795
C -1.173130 0.747644 0.087609
C 2.874806 2.138920 -0.808030
C -0.219931 -1.245568 -1.158778
C 0.254868 1.775200 1.842058
C 1.773822 3.135331 -0.525613
C -1.368070 -0.467404 -0.590747
C 3.299390 1.238922 1.495753
C 3.802734 -0.128404 -0.485364
C -2.301977 1.451378 0.535755
C -2.676581 -0.968143 -0.733177
C -3.822976 -0.282423 -0.302383
C -3.584992 0.942664 0.343053
C -5.209199 -0.854261 -0.496816
C 3.253230 -2.009856 1.221470
C 5.016732 -2.344621 -0.186610
C -5.737702 -1.421081 0.839881
C -6.200593 0.148849 -1.097074
C 3.844356 -3.234978 1.459612
H 1.288376 -0.466549 0.907760
H 1.890767 -1.086541 -1.546504
H 0.975267 0.326589 -2.068552
H -0.349897 3.370016 -0.260372
H 0.101183 2.316309 -1.595447
H 2.842452 1.851592 -1.882853
H 3.867350 2.630457 -0.696379
H -0.054188 -2.157472 -0.542274
H -0.467220 -1.624712 -2.176409
H 0.137491 0.921171 2.518174
H 1.195692 2.285378 2.098051
H -0.545612 2.486476 2.086394
H 2.756434 2.104206 1.916728
H 3.191777 0.416739 2.211923
H 4.361041 1.522761 1.484283
H -2.177819 2.406630 1.055791
H -5.162953 -1.708904 -1.223909
H 2.398372 -1.537842 1.674679
H 5.730164 -2.138596 -0.976292
H -6.767109 -1.806732 0.727845
H -5.705907 -0.682395 1.663521
H -6.871394 -0.344968 -1.810686
H -6.839601 0.625764 -0.344356
H -5.690118 0.953060 -1.641861
H 3.584748 -3.993674 2.179705
H -4.723603 -3.136613 0.631749


%chk=000186356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186356

0 1
Cl -2.901330 -2.642332 -1.493940
Cl -4.980581 2.030030 0.927761
O 2.057308 4.337628 0.049450
O 4.415001 0.132943 -1.620506
O -5.185130 -2.212389 1.608629
N 4.063093 -1.377999 0.090357
N 5.009836 -3.445164 0.276419
C 1.361457 0.286387 0.111154
C 0.214120 1.318059 0.445363
C 2.829647 0.896966 0.111614
C 1.046269 -0.435010 -1.224557
C 0.379933 2.623243 -0.419716
C -1.187604 0.720681 0.127343
C 2.880163 2.188479 -0.770408
C -0.208073 -1.309777 -1.082299
C 0.248191 1.696506 1.957083
C 1.798293 3.169486 -0.345819
C -1.385650 -0.520111 -0.541624
C 3.414995 1.253189 1.523884
C 3.807917 -0.114659 -0.549802
C -2.332114 1.451807 0.527489
C -2.717132 -0.980308 -0.702668
C -3.894653 -0.291713 -0.307663
C -3.624446 0.956791 0.310142
C -5.292126 -0.879203 -0.520057
C 3.559409 -1.959111 1.284296
C 4.941097 -2.342676 -0.471141
C -5.976491 -1.256496 0.823265
C -6.217046 -0.008255 -1.412117
C 4.147540 -3.209663 1.377428
H 1.321610 -0.484637 0.906680
H 1.884822 -1.084185 -1.533122
H 0.903853 0.300840 -2.039418
H -0.327584 3.399995 -0.083696
H 0.147087 2.387404 -1.476885
H 2.731811 1.914796 -1.831977
H 3.869424 2.667902 -0.689725
H 0.008750 -2.170483 -0.416718
H -0.474297 -1.749075 -2.060048
H 0.153454 0.793131 2.586598
H 1.177166 2.219050 2.227731
H -0.580001 2.373557 2.222474
H 3.201807 2.303809 1.779735
H 3.013671 0.619850 2.331202
H 4.515152 1.146275 1.527395
H -2.229715 2.420516 1.022774
H -5.149894 -1.829195 -1.067589
H 2.871584 -1.453667 1.950241
H 5.467663 -2.151621 -1.401229
H -6.985703 -1.663582 0.595868
H -6.091774 -0.383226 1.482671
H -7.142759 -0.568989 -1.640315
H -6.501695 0.939515 -0.928902
H -5.722252 0.227798 -2.370711
H 4.017401 -3.958105 2.155590
H -4.998770 -3.011602 1.052912


