%chk=000059773.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000059773 0 1 Cl 5.251300 -3.380700 2.7600000E-02 Cl 5.467100 3.274000 6.7100003E-02 F -2.991900 1.094000 -0.5510000 F -3.015500 -1.081300 -0.5382000 O -6.922000 -6.4599998E-02 0.1179000 O -5.408900 9.7400002E-02 -1.565800 N 3.176600 2.1500001E-02 -0.6287000 C -2.151500 -7.7000000E-03 1.372600 C 1.856400 1.4200000E-02 -0.1322000 C -0.7381000 1.9999999E-04 0.8417000 C -3.188200 1.6100001E-02 0.2504000 C 3.861100 -1.224300 -0.9116000 C 3.860800 1.275200 -0.8755000 C 1.201100 -1.197200 8.9500003E-02 C 1.205700 1.218300 0.1362000 C -0.1048000 -1.204200 0.5797000 C -0.1001000 1.211300 0.6265000 C -4.631200 9.2000002E-03 0.7403000 C 4.416400 -1.842900 0.3617000 C 4.613400 1.738600 0.3618000 C -5.657600 3.2699998E-02 -0.3700000 H -2.296200 -0.8974000 1.998300 H -2.292400 0.8603000 2.029000 H 4.703200 -1.035600 -1.591200 H 3.226100 -1.923500 -1.469200 H 3.205800 2.053400 -1.282600 H 4.595700 1.126900 -1.679000 H 1.647500 -2.166300 -0.1028000 H 1.662500 2.192700 6.0999999E-03 H -0.6086000 -2.151900 0.7469000 H -0.5986000 2.153700 0.8353000 H -4.808700 0.8921000 1.364200 H -4.808000 -0.8965000 1.331400 H 5.149500 -1.186500 0.8364000 H 3.642100 -2.054400 1.103400 H 3.940500 1.896300 1.209800 H 5.371700 1.013200 0.6651000 H -7.591300 -6.5899998E-02 -0.5993000 %chk=000059773-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000059773 0 1 Cl 5.370589 -3.556718 -0.054973 Cl 5.351535 3.533123 -0.041619 F -3.044872 1.253153 -0.524768 F -3.066740 -1.043271 -0.697821 O -7.046961 -0.006097 0.228503 O -5.640642 0.220853 -1.610538 N 3.260400 -0.016577 -0.612592 C -2.219746 -0.050811 1.348981 C 1.935098 -0.025275 -0.111613 C -0.782812 -0.041522 0.856070 C -3.270136 0.042883 0.226464 C 3.967518 -1.275875 -0.898531 C 3.953366 1.251936 -0.892564 C 1.239945 -1.249419 0.130037 C 1.237043 1.190242 0.164073 C -0.087712 -1.246710 0.597672 C -0.089933 1.172341 0.632121 C -4.721151 0.020475 0.708843 C 4.581952 -1.890973 0.374758 C 4.583143 1.855379 0.378709 C -5.781501 0.093289 -0.383481 H -2.425890 -0.979376 1.913080 H -2.399551 0.798333 2.034736 H 4.772968 -1.078195 -1.627068 H 3.286611 -2.006867 -1.371417 H 3.258153 1.982712 -1.344123 H 4.748292 1.071258 -1.637026 H 1.720490 -2.214774 -0.052847 H 1.716116 2.161262 0.009447 H -0.592287 -2.207469 0.753969 H -0.596871 2.126792 0.814912 H -4.890172 0.867078 1.398819 H -4.900586 -0.900234 1.292223 H 5.394435 -1.276625 0.790144 H 3.827198 -2.106363 1.144793 H 3.838933 2.054205 1.163360 H 5.407493 1.242894 0.772990 H -7.752811 0.045343 -0.471924