%chk=000181044.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181044

0 1
I 3.218400 3.888334 -0.649759
Cl -1.103592 -1.380129 -0.529457
Cl -6.207235 -1.659179 1.120374
O 1.674045 0.155247 1.125580
O -0.654403 1.535899 -0.196729
C 3.731639 -0.494382 0.009708
C 2.252850 -0.857738 0.265187
C 3.788493 0.892261 -0.660446
C 1.606795 1.489686 0.560132
C 4.383420 -1.604999 -0.825840
C 3.069199 1.891137 0.234055
C 2.115739 -2.170704 1.037872
C 4.260460 -2.952388 -0.095167
C 2.803064 -3.295693 0.252937
C 0.703888 1.513252 -0.697709
C 1.021733 2.301658 1.707956
C -1.656785 1.491723 -1.240647
C -2.802280 0.714820 -0.651835
C -2.633359 -0.630471 -0.286766
C -4.053229 1.313826 -0.444742
C -3.670115 -1.385318 0.265348
C -5.112696 0.582256 0.099886
C -4.903314 -0.755031 0.446410
H 4.254944 -0.433167 0.996509
H 1.670887 -0.884682 -0.684626
H 4.844489 1.192253 -0.816293
H 3.342257 0.855018 -1.672934
H 5.448294 -1.371179 -1.009761
H 3.909428 -1.669760 -1.823138
H 3.618945 2.009020 1.195538
H 1.044638 -2.397283 1.205516
H 2.554834 -2.063092 2.048441
H 4.866032 -2.927994 0.831870
H 4.692935 -3.755905 -0.720421
H 2.236267 -3.503317 -0.675419
H 2.771380 -4.231479 0.842885
H 0.849448 0.604306 -1.311106
H 0.866778 2.421077 -1.306981
H 1.018904 3.376554 1.495423
H -0.027368 1.999011 1.880086
H 1.559713 2.120753 2.645220
H -1.270886 1.003308 -2.154908
H -1.921018 2.541283 -1.468468
H -4.202682 2.362744 -0.704942
H -3.520179 -2.427785 0.549518
H -6.084858 1.049352 0.257941


%chk=000181044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181044

0 1
I 3.603679 3.941502 -0.971153
Cl -1.189957 -1.732335 -1.683587
Cl -6.142009 -2.294257 0.721769
O 1.801440 0.491072 1.320845
O -0.483182 1.299249 -0.065403
C 3.625264 -0.521897 0.003187
C 2.161280 -0.662237 0.467180
C 3.807217 0.833312 -0.733809
C 1.804273 1.809850 0.621638
C 4.030012 -1.742988 -0.856645
C 3.275030 1.986511 0.138708
C 1.942132 -1.936133 1.290052
C 3.804157 -3.060821 -0.073105
C 2.349706 -3.173996 0.450608
C 0.788486 1.847906 -0.548881
C 1.406820 2.800230 1.724111
C -1.526895 1.358529 -1.107055
C -2.657915 0.453441 -0.680423
C -2.624848 -0.949468 -0.864397
C -3.807180 0.989050 -0.046118
C -3.664932 -1.802274 -0.449065
C -4.874283 0.173290 0.387697
C -4.782104 -1.215265 0.176566
H 4.255404 -0.509782 0.918614
H 1.489218 -0.690145 -0.418018
H 4.875743 1.003912 -0.957615
H 3.278636 0.803769 -1.706233
H 5.089247 -1.654649 -1.168657
H 3.422148 -1.755747 -1.785928
H 3.911868 2.135680 1.027084
H 0.882437 -1.997724 1.596369
H 2.553306 -1.880236 2.212546
H 4.504828 -3.096655 0.786355
H 4.043408 -3.928755 -0.717414
H 1.656754 -3.271561 -0.410637
H 2.234279 -4.092221 1.057063
H 1.136255 1.261797 -1.425792
H 0.664838 2.902187 -0.873875
H 1.461776 3.841077 1.361780
H 0.376722 2.580660 2.048485
H 2.080770 2.686540 2.590432
H -1.104510 1.024668 -2.078785
H -1.886196 2.403419 -1.220055
H -3.858812 2.070890 0.118773
H -3.607546 -2.881467 -0.608233
H -5.750863 0.605174 0.877321


