%chk=000229162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229162

0 1
Cl 2.603607 2.727016 0.512762
Cl 2.578294 -2.791322 -0.201529
Cl 4.442379 0.077152 -0.757200
Cl 3.745110 -0.271596 1.966143
Cl 1.100437 2.055510 -2.231241
Cl 1.084204 -1.429788 -2.681964
O -0.870087 2.214354 0.977287
O -0.895863 -2.387810 0.411498
N -1.226728 -0.074066 0.607314
C 0.975527 0.622966 1.241047
C 0.969112 -0.927308 1.040711
C 2.052548 1.114926 0.226417
C 2.041857 -1.154647 -0.067345
C 3.110389 -0.060117 0.352923
C 1.544582 0.829952 -1.191938
C 1.538324 -0.513535 -1.366253
C -0.447966 1.092798 0.933854
C -0.459932 -1.292928 0.633391
C -2.634049 -0.022830 0.257737
C -3.156554 1.129960 -0.352525
C -3.458121 -1.126649 0.534652
C -4.513537 1.170007 -0.679726
C -4.811113 -1.067076 0.193777
C -5.342653 0.076553 -0.410366
H 1.244417 0.927858 2.280065
H 1.237022 -1.487652 1.967817
H -2.521575 1.994091 -0.558012
H -3.052166 -2.029992 0.993767
H -4.925215 2.063539 -1.149442
H -5.454247 -1.922265 0.402345
H -6.398705 0.115401 -0.670665


%chk=000229162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229162

0 1
Cl 2.658987 2.798021 0.673050
Cl 2.690081 -2.824270 -0.339681
Cl 4.531072 0.172784 -0.813870
Cl 3.792971 -0.345852 2.038092
Cl 0.896354 2.201765 -2.176130
Cl 0.922094 -1.285640 -2.809667
O -0.907182 2.186318 1.180030
O -0.886606 -2.453025 0.321451
N -1.222784 -0.111539 0.624025
C 0.972605 0.565795 1.305138
C 0.979369 -0.969097 1.026301
C 2.043631 1.122880 0.285576
C 2.055334 -1.126097 -0.120960
C 3.105234 -0.041445 0.333778
C 1.506082 0.907061 -1.136433
C 1.513681 -0.432858 -1.380472
C -0.463630 1.028487 1.040171
C -0.454264 -1.318483 0.609649
C -2.622151 -0.047148 0.263553
C -3.083359 1.023458 -0.539353
C -3.511968 -1.052352 0.710655
C -4.448254 1.085622 -0.889997
C -4.873104 -0.981976 0.345273
C -5.346221 0.085030 -0.452197
H 1.276308 0.830048 2.329542
H 1.286306 -1.572432 1.894386
H -2.390563 1.798731 -0.876029
H -3.146451 -1.881075 1.321741
H -4.807507 1.914802 -1.508464
H -5.562477 -1.761284 0.686590
H -6.404293 0.136272 -0.730446


