%chk=000124645.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124645 0 1 Cl 5.464400 -1.741700 -0.6632000 O -1.736100 -1.601400 0.1982000 O 2.487400 0.5859000 0.5722000 O -3.753000 -2.664600 2.1800000E-02 O 5.036800 0.8264000 -0.1521000 C -1.641900 0.8284000 -3.5599999E-02 C -1.006600 -0.3957000 0.1783000 C -3.096500 0.8398000 -0.2419000 C -0.8459000 1.981700 -4.0199999E-02 C 0.3707000 -0.4954000 0.3830000 C 1.143400 0.6610000 0.3747000 C 0.5362000 1.897700 0.1636000 C -3.764500 -0.3221000 -0.2181000 C -3.809000 2.139900 -0.4747000 C -3.108800 -1.621400 6.6999998E-03 C 3.142100 -0.6063000 0.1407000 C 4.581500 -0.3123000 -0.2135000 H -1.278000 2.966000 -0.2010000 H 0.7972000 -1.476600 0.5679000 H 1.133600 2.805800 0.1557000 H -4.839800 -0.3509000 -0.3670000 H -4.886600 1.996400 -0.6122000 H -3.431900 2.634300 -1.376400 H -3.679700 2.812800 0.3797000 H 3.123300 -1.337600 0.9561000 H 2.675300 -1.015200 -0.7645000 %chk=000124645-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124645 0 1 Cl 5.627998 -1.971726 0.246486 O -1.739383 -1.613907 0.005042 O 2.539154 0.699483 0.010688 O -3.744363 -2.760422 0.005842 O 5.335122 0.758480 0.088389 C -1.700837 0.848387 -0.109803 C -1.035745 -0.410949 -0.032948 C -3.160095 0.865057 -0.148145 C -0.884685 2.018293 -0.143891 C 0.371281 -0.520589 0.009769 C 1.136020 0.663035 -0.025771 C 0.510733 1.938533 -0.102985 C -3.848580 -0.334181 -0.109673 C -3.902169 2.180496 -0.227537 C -3.206141 -1.639376 -0.032240 C 3.235238 -0.574917 0.093579 C 4.724415 -0.293430 0.126243 H -1.358995 3.002484 -0.203717 H 0.804779 -1.522015 0.068646 H 1.141085 2.831107 -0.128819 H -4.941398 -0.359823 -0.136321 H -4.991945 2.020979 -0.248342 H -3.620940 2.743977 -1.137094 H -3.666609 2.824640 0.640495 H 2.967000 -1.136232 1.011941 H 3.022660 -1.222484 -0.781635