%chk=000024369.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000024369 0 1 Cl 5.360000 1.370500 -0.2970000 Cl 2.919200 -2.816200 2.9300001E-02 O -0.2138000 1.967500 -0.3778000 N 1.083700 0.2631000 0.5153000 N 2.136300 0.5505000 -0.2789000 C -1.166800 0.5706000 1.327200 C -2.385100 0.1353000 0.5579000 C -3.368400 1.065800 0.2509000 C -2.508600 -1.190500 0.1655000 C -6.1200000E-02 1.027300 0.3999000 C -4.497400 0.6626000 -0.4622000 C -3.637600 -1.593500 -0.5477000 C -4.632000 -0.6668000 -0.8616000 C 3.206900 -0.1772000 -0.1590000 C 4.358200 0.1416000 -1.085000 C 3.406400 -1.310600 0.8232000 H -1.411500 1.406400 1.994700 H -0.8291000 -0.2420000 1.981700 H -3.272900 2.104100 0.5559000 H -1.738600 -1.919200 0.4032000 H -5.271400 1.384200 -0.7069000 H -3.742300 -2.628700 -0.8593000 H 1.133700 -0.5354000 1.135100 H -5.510800 -0.9807000 -1.417100 H 3.989300 0.5443000 -2.032200 H 4.965200 -0.7462000 -1.278000 H 4.467200 -1.393300 1.077300 H 2.853400 -1.182300 1.754700 %chk=000024369-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000024369 0 1 Cl 4.956650 -1.583269 -0.033786 Cl 0.969213 0.112745 -2.610652 O 0.658475 2.026919 2.664492 N 0.702275 0.731492 0.700482 N 2.072908 0.714403 0.628834 C -1.487075 1.456955 1.606210 C -2.109126 0.303836 0.832095 C -2.513786 0.460925 -0.519036 C -2.274506 -0.965407 1.449011 C 0.052758 1.440316 1.739426 C -3.067438 -0.622955 -1.239495 C -2.830067 -2.048379 0.733076 C -3.227084 -1.880962 -0.615300 C 2.651350 -0.000650 -0.324360 C 4.140096 0.116917 -0.392166 C 1.948967 -0.903718 -1.296965 H -1.748291 2.425629 1.137308 H -1.867816 1.499439 2.641333 H -2.402587 1.436477 -1.008285 H -1.971737 -1.100289 2.494734 H -3.372907 -0.483555 -2.282066 H -2.957636 -3.019042 1.225102 H 0.109152 0.293443 -0.021847 H -3.659358 -2.720706 -1.170303 H 4.518636 0.804456 0.374197 H 4.510073 0.372520 -1.396470 H 2.650844 -1.516535 -1.876028 H 1.180016 -1.539805 -0.830441