%chk=000186510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186510

0 1
Cl -2.823576 -2.442052 1.971059
Cl -3.227404 -4.070018 -0.312673
Cl -5.339780 -2.413006 0.625480
O 3.274951 0.347242 0.978143
O 2.560149 -1.253406 -0.560744
O 6.964202 -0.885191 -0.269878
O 5.015525 -2.595805 1.064589
O 6.225644 1.996313 0.437794
O 1.955616 2.094760 -0.927482
O 3.515316 1.244925 -2.301344
O -5.401955 3.796461 -0.104182
C 5.818374 -0.398400 0.440599
C 4.757925 -1.491043 0.191329
C 5.405315 0.978064 -0.124437
C 3.348330 -1.029596 0.615743
C 3.918370 1.309045 0.140831
C 3.156667 1.493117 -1.177513
C 1.170960 -1.249774 -0.455648
C -3.111405 -1.371077 -0.558030
C -1.599172 -1.311215 -0.514203
C 0.533300 -2.034661 -1.429691
C 0.462326 -0.494703 0.483040
C -0.858925 -2.056842 -1.449230
C -0.932982 -0.537270 0.447188
C -3.743692 -0.014682 -0.327596
C -3.596110 -2.483287 0.387404
C -3.865261 0.830498 -1.453529
C -4.188020 0.441502 0.916589
C -4.421658 2.095486 -1.342012
C -4.757487 1.713405 1.056006
C -4.870231 2.528039 -0.074343
C -5.910965 4.346933 1.135152
H 6.072286 -0.335312 1.524285
H 4.779399 -1.835386 -0.873501
H 5.655486 1.044754 -1.220076
H 2.938916 -1.543433 1.514651
H 3.812365 2.242678 0.758367
H 7.686904 -0.214858 -0.252295
H 5.865209 -3.028898 0.802514
H 6.130301 2.042205 1.415627
H -3.430259 -1.692602 -1.597118
H 1.126163 -2.605148 -2.142248
H 0.983969 0.132975 1.206708
H -1.373437 -2.671154 -2.189991
H -1.505169 0.044693 1.172826
H 1.397740 2.200668 -1.749408
H -3.513386 0.487741 -2.428057
H -4.106619 -0.177580 1.810445
H -4.522827 2.756663 -2.199969
H -5.101504 2.042207 2.031020
H -6.267012 5.333971 0.811179
H -6.737205 3.736912 1.511339
H -5.104867 4.442339 1.867992


%chk=000186510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186510

0 1
Cl -3.222913 -2.625914 2.081476
Cl -3.209839 -4.230522 -0.461552
Cl -5.651571 -2.624161 0.267338
O 3.311780 0.595502 0.769398
O 2.553329 -1.203042 -0.666380
O 7.111363 -0.939250 0.476096
O 4.913319 -2.612835 0.992715
O 6.474751 2.043434 0.552977
O 2.325887 1.810379 -1.686513
O 4.258394 0.902436 -2.607667
O -5.580236 3.832592 0.065151
C 5.800650 -0.328723 0.707101
C 4.770568 -1.369075 0.241482
C 5.644828 0.994342 -0.064871
C 3.343247 -0.852224 0.504389
C 4.145926 1.389942 -0.165473
C 3.618410 1.306325 -1.613647
C 1.139986 -1.204034 -0.556391
C -3.228150 -1.413543 -0.538682
C -1.690935 -1.338112 -0.521969
C 0.459911 -1.903953 -1.577113
C 0.421549 -0.546042 0.469104
C -0.946597 -1.964543 -1.554851
C -0.986356 -0.623462 0.477024
C -3.892878 -0.055045 -0.268022
C -3.781212 -2.607398 0.295338
C -4.175753 0.759992 -1.398039
C -4.189129 0.465040 1.013606
C -4.730153 2.042991 -1.259911
C -4.754568 1.750834 1.172276
C -5.023625 2.546145 0.032201
C -5.916550 4.391671 1.377179
H 5.654736 -0.137069 1.793748
H 4.908917 -1.541467 -0.845703
H 6.070603 0.880863 -1.075426
H 2.921037 -1.304281 1.418301
H 4.003366 2.429518 0.176540
H 7.812580 -0.258866 0.640667
H 5.861383 -2.895432 0.911028
H 6.164293 2.195327 1.484038
H -3.520894 -1.696423 -1.569806
H 1.041407 -2.399505 -2.360031
H 0.942723 0.054557 1.218617
H -1.469538 -2.519396 -2.341710
H -1.538671 -0.094411 1.258873
H 1.972594 1.707327 -2.611543
H -3.957264 0.382178 -2.404435
H -4.004937 -0.136076 1.908779
H -4.950276 2.667579 -2.130738
H -4.980730 2.112093 2.179858
H -6.335667 5.386269 1.166192
H -6.671836 3.771043 1.897387
H -5.016457 4.493620 2.014296


