%chk=000200121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200121

0 1
Cl 3.764371 3.361025 -0.160864
O -3.081792 -0.417602 -1.063072
O -4.611074 -0.025744 2.134859
O 6.121001 -0.806767 -1.922048
O -5.138436 0.400893 -1.565901
C -1.634481 -0.278341 0.819849
C -0.809293 0.883889 0.179621
C 0.645560 0.846320 0.664083
C 1.267048 -0.495235 0.176873
C -3.074801 0.091612 0.306386
C -1.053756 -1.605007 0.307785
C -1.662595 2.135792 0.442896
C 0.438890 -1.702965 0.667361
C 2.773455 -0.603745 0.589885
C -3.120091 1.636337 0.321959
C 1.441728 2.041484 0.117565
C -1.646754 -0.252873 2.353192
C 2.911113 1.931885 0.524835
C 3.506642 0.631273 0.050525
C -4.214721 -0.556223 1.122861
C 2.974698 -0.665282 2.115596
C 3.338349 -1.894222 0.021594
C 4.569031 0.547783 -0.758008
C -4.762979 -1.852758 0.619578
C 4.396720 -1.962358 -0.787399
C 5.130401 -0.745801 -1.224539
C -4.134387 -0.167046 -1.919370
C -3.790531 -0.724835 -3.256150
H -0.804685 0.720747 -0.931890
H 0.666675 0.877142 1.781295
H 1.242603 -0.496916 -0.943192
H -1.193730 -1.678338 -0.789749
H -1.599902 -2.464627 0.736510
H -1.449452 2.938148 -0.280889
H -1.470952 2.557403 1.444105
H 0.543770 -1.810131 1.764936
H 0.847690 -2.635773 0.230964
H -3.735956 1.992644 1.172674
H -3.614070 2.027215 -0.584177
H 1.012578 2.992671 0.491809
H 1.355032 2.096904 -0.987518
H -0.633053 -0.164052 2.761135
H -2.227452 0.592122 2.750828
H -2.089790 -1.162836 2.773104
H 3.035174 2.021886 1.634168
H 4.041656 -0.641408 2.374007
H 2.489040 0.172375 2.628629
H 2.559334 -1.585778 2.542839
H 2.814024 -2.799068 0.341765
H 5.109616 1.417170 -1.145925
H -4.040712 -2.428787 0.028704
H -5.119861 -2.482334 1.447909
H -5.641647 -1.661632 -0.022050
H 4.792361 -2.902990 -1.173278
H -2.827302 -1.258804 -3.260560
H -3.726729 0.080750 -4.006555
H -4.569278 -1.422991 -3.602247


%chk=000200121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200121

0 1
Cl 3.799068 3.442224 -0.367415
O -3.017794 -0.358128 -1.162231
O -4.813541 -0.121723 1.993746
O 5.959532 -0.908505 -2.263224
O -5.218532 0.307460 -1.571543
C -1.673153 -0.295508 0.884542
C -0.828281 0.861887 0.254093
C 0.650069 0.843630 0.696706
C 1.273347 -0.530185 0.290356
C -3.098203 0.067742 0.284171
C -1.054457 -1.649097 0.459583
C -1.680457 2.127595 0.510599
C 0.447596 -1.719523 0.855111
C 2.830248 -0.599580 0.638308
C -3.155530 1.623542 0.384799
C 1.426251 2.023164 0.059715
C -1.755741 -0.205982 2.434292
C 2.922457 1.944717 0.411962
C 3.511616 0.615858 -0.017765
C -4.265461 -0.657589 0.995612
C 3.080856 -0.576418 2.187934
C 3.409301 -1.908954 0.132183
C 4.511605 0.491343 -0.940024
C -4.670461 -2.044580 0.519312
C 4.409216 -2.016954 -0.786188
C 5.029303 -0.817701 -1.395797
C -4.121927 -0.127000 -1.990842
C -3.783779 -0.472071 -3.424012
H -0.833281 0.678410 -0.842212
H 0.696685 0.956778 1.799787
H 1.216891 -0.588901 -0.819614
H -1.151261 -1.767041 -0.635525
H -1.587135 -2.496440 0.934208
H -1.461542 2.932934 -0.211616
H -1.486850 2.533666 1.521585
H 0.540520 -1.757800 1.957229
H 0.852611 -2.672847 0.469639
H -3.769149 1.893175 1.260397
H -3.666156 2.038117 -0.498922
H 1.018279 2.986617 0.412547
H 1.317404 1.994973 -1.042136
H -0.750743 -0.196436 2.887808
H -2.292170 0.692383 2.780565
H -2.293756 -1.078661 2.845672
H 3.075470 2.118050 1.491334
H 4.163564 -0.512767 2.393346
H 2.586812 0.278534 2.681043
H 2.703401 -1.501081 2.658346
H 2.995102 -2.817989 0.588334
H 4.969742 1.378025 -1.389931
H -3.846572 -2.579816 0.020105
H -5.048317 -2.624877 1.376796
H -5.499176 -1.940601 -0.206045
H 4.802152 -2.989544 -1.104155
H -3.302507 -1.462699 -3.482929
H -3.067080 0.265911 -3.827424
H -4.697788 -0.457535 -4.034909


