%chk=000106039.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000106039 0 1 Cl 3.253900 3.228100 0.2780000 Cl 3.538200 -3.034900 -0.3564000 Cl 6.041300 1.821000 -0.2586000 Cl 6.183600 -1.304300 -0.5741000 O 0.4335000 2.221500 0.5840000 O 0.6378000 -2.366300 0.1202000 N 0.1394000 -9.7499996E-02 0.4164000 C -1.290800 -0.1838000 0.6251000 C -1.583500 -0.9691000 1.913800 C -1.967600 -0.7877000 -0.6158000 C -3.057100 -1.169800 2.311900 C -2.022200 0.1991000 -1.790600 C -3.875800 0.1011000 2.582900 C -3.059500 -0.1653000 -2.864800 C -4.504000 0.7974000 1.367500 C -4.508500 -0.3230000 -2.375300 C -5.567600 -3.5500001E-02 0.6419000 C -5.099100 0.9356000 -1.725600 C -6.126000 0.6422000 -0.6214000 C 0.8459000 1.088100 0.4212000 C 0.9496000 -1.191800 0.1902000 C 2.241500 0.7190000 0.1868000 C 2.304300 -0.6596000 4.7100000E-02 C 3.366000 1.513600 9.9299997E-02 C 3.494800 -1.316400 -0.1872000 C 4.584100 0.8698000 -0.1373000 C 4.647800 -0.5315000 -0.2791000 H -1.652600 0.8376000 0.7767000 H -1.069200 -0.4719000 2.747800 H -1.137000 -1.969000 1.852500 H -2.984700 -1.064000 -0.3476000 H -1.491500 -1.716600 -0.9463000 H -3.040100 -1.738700 3.252200 H -3.562900 -1.826400 1.598900 H -1.032900 0.2432000 -2.263100 H -2.221700 1.212100 -1.425700 H -3.247900 0.8235000 3.118900 H -4.690100 -0.1623000 3.270500 H -2.754300 -1.104900 -3.342000 H -3.032000 0.6027000 -3.647600 H -3.722800 1.109600 0.6778000 H -4.977800 1.723700 1.717500 H -4.575700 -1.190000 -1.713300 H -5.132800 -0.5838000 -3.240200 H -6.402400 -0.2118000 1.332000 H -5.181800 -1.023700 0.3818000 H -5.599300 1.516900 -2.511400 H -4.325200 1.597700 -1.332800 H -6.923300 1.2000000E-02 -1.034300 H -6.598800 1.588300 -0.3295000 %chk=000106039-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000106039 0 1 Cl 3.201137 3.367995 0.307575 Cl 3.780608 -3.015801 -0.438062 Cl 6.082210 2.055286 -0.281458 Cl 6.369754 -1.112861 -0.649443 O 0.247383 2.171498 0.652338 O 0.678900 -2.481071 0.105564 N 0.119074 -0.189198 0.422134 C -1.353005 -0.310227 0.632741 C -1.634890 -1.080542 1.952922 C -2.046963 -0.902788 -0.617389 C -3.129464 -1.225607 2.353434 C -1.995629 0.023144 -1.856098 C -3.916894 0.084182 2.647516 C -3.075712 -0.297052 -2.927406 C -4.507861 0.854694 1.432303 C -4.539925 -0.310288 -2.404642 C -5.604037 0.089563 0.650765 C -5.011987 1.009735 -1.732724 C -6.094000 0.815714 -0.634291 C 0.794692 1.062635 0.448940 C 1.002361 -1.271368 0.176699 C 2.244560 0.750074 0.190467 C 2.370860 -0.652778 0.026525 C 3.359309 1.592319 0.101564 C 3.615254 -1.240515 -0.229124 C 4.630536 1.007565 -0.158580 C 4.757292 -0.395816 -0.321998 H -1.682681 0.738635 0.755613 H -1.096806 -0.559662 2.770877 H -1.195918 -2.093267 1.870470 H -3.100384 -1.064031 -0.338007 H -1.626080 -1.899119 -0.847224 H -3.138317 -1.839480 3.276399 H -3.667145 -1.830952 1.598297 H -0.996760 -0.034019 -2.333456 H -2.110485 1.075203 -1.525122 H -3.259747 0.770390 3.221405 H -4.758613 -0.168553 3.325345 H -2.857545 -1.285856 -3.380676 H -2.983877 0.447050 -3.744794 H -3.698082 1.151270 0.741553 H -4.943405 1.805115 1.804439 H -4.659741 -1.151506 -1.694948 H -5.212469 -0.548451 -3.252879 H -6.472737 -0.072440 1.321683 H -5.242204 -0.923858 0.384033 H -5.409253 1.691589 -2.510758 H -4.147952 1.539474 -1.289616 H -6.945755 0.247941 -1.062477 H -6.494408 1.810233 -0.347531