%chk=000114992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114992

0 1
Cl -3.519915 3.412342 -0.401059
O 3.191921 -0.036244 1.084447
O -4.773505 -1.626277 0.921731
O 4.542793 -0.912997 -2.097064
O 5.282139 0.846838 1.142331
O -6.692983 -0.572054 0.796927
C 1.642986 -0.563066 -0.642314
C 0.869216 0.781737 -0.445129
C -0.607490 0.599364 -0.817035
C -1.212838 -0.443657 0.169134
C 3.113723 -0.074823 -0.373706
C 1.079867 -1.588738 0.353368
C 1.721568 1.816578 -1.197681
C -0.432250 -1.773016 0.135892
C 3.176902 1.349896 -0.969179
C -2.732323 -0.632032 -0.116215
C 1.567716 -1.108655 -2.073591
C -1.385426 1.881326 -0.767050
C -3.453074 0.719331 -0.021343
C 4.198218 -1.017021 -0.942674
C -3.329824 -1.558071 0.971406
C -3.007050 -1.215666 -1.507278
C -2.678409 1.902233 -0.410552
C -4.734111 0.764484 0.377334
C 4.757709 -2.049957 -0.018626
C 4.295865 0.480814 1.732518
C -5.496570 -0.453842 0.709736
C 4.025292 0.467697 3.196211
H 0.918375 1.047023 0.644918
H -0.677854 0.202592 -1.866947
H -1.116701 -0.019063 1.202237
H 1.283907 -1.255460 1.391151
H 1.594327 -2.561218 0.246324
H 1.562619 2.837656 -0.816175
H 1.478673 1.841910 -2.273667
H -0.607283 -2.287891 -0.830696
H -0.821319 -2.456714 0.914734
H 3.747409 1.342183 -1.920496
H 3.727539 2.034433 -0.301040
H 2.140171 -0.495319 -2.784788
H 1.969404 -2.125861 -2.144712
H 0.534086 -1.140102 -2.438960
H -0.849896 2.788410 -1.054340
H -3.051220 -2.618487 0.824434
H -3.060566 -1.232611 1.991858
H -2.800490 -0.492927 -2.305084
H -2.399743 -2.107873 -1.700746
H -4.061193 -1.515905 -1.606463
H -5.318484 1.686212 0.459712
H 4.065599 -2.337642 0.781847
H 5.054352 -2.956094 -0.567551
H 5.677235 -1.665306 0.457742
H 3.058405 0.004473 3.447594
H 4.015906 1.495031 3.597152
H 4.815495 -0.078272 3.736224


%chk=000114992-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114992

0 1
Cl -3.468531 3.533525 -0.109469
O 3.126383 0.062838 1.162367
O -4.842061 -1.683540 0.867371
O 4.775592 -0.936598 -1.922717
O 5.354733 0.759418 1.195299
O -6.722629 -0.409444 1.199432
C 1.686584 -0.608254 -0.701295
C 0.884134 0.725798 -0.516861
C -0.610506 0.554316 -0.870829
C -1.224124 -0.539566 0.055970
C 3.141423 -0.084011 -0.339847
C 1.080573 -1.692528 0.224399
C 1.733698 1.780524 -1.263843
C -0.440694 -1.876060 -0.045326
C 3.207854 1.318661 -1.018619
C -2.772482 -0.658273 -0.168032
C 1.695506 -1.105488 -2.173853
C -1.381566 1.852299 -0.751439
C -3.424750 0.711463 0.123867
C 4.268075 -1.052465 -0.777228
C -3.356666 -1.662284 0.853056
C -3.144751 -1.089018 -1.616909
C -2.654091 1.891506 -0.266109
C -4.686221 0.768869 0.660456
C 4.677569 -2.178433 0.160668
C 4.277389 0.547408 1.796168
C -5.498306 -0.431960 0.944783
C 4.012995 0.772510 3.268004
H 0.932216 0.967296 0.565895
H -0.681213 0.220677 -1.929837
H -1.086490 -0.165827 1.096773
H 1.232688 -1.396109 1.278773
H 1.587521 -2.666090 0.076983
H 1.562297 2.802698 -0.883869
H 1.496884 1.788047 -2.344456
H -0.591728 -2.337415 -1.039848
H -0.831811 -2.597967 0.696284
H 3.780283 1.223963 -1.956226
H 3.765235 2.019675 -0.377233
H 2.209474 -0.408520 -2.855586
H 2.217695 -2.075524 -2.251828
H 0.670898 -1.256089 -2.551695
H -0.888771 2.778564 -1.067152
H -3.085878 -2.699962 0.604364
H -3.003535 -1.420899 1.876266
H -2.883403 -0.311048 -2.354763
H -2.627497 -2.024426 -1.896334
H -4.230831 -1.270395 -1.691702
H -5.188130 1.724581 0.835245
H 3.887227 -2.439668 0.882400
H 4.965588 -3.059237 -0.436391
H 5.569308 -1.855483 0.729911
H 3.439620 -0.066054 3.696174
H 3.409543 1.688858 3.401337
H 4.966580 0.894842 3.801856


