%chk=000063608.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000063608 0 1 Cl 0.2147000 -5.850000 -5.2299999E-02 Cl 8.773100 0.8550000 -0.4309000 O -4.208700 -1.234200 0.9206000 N -2.259300 -0.4543000 -0.1474000 N 0.6351000 0.8568000 -4.4599999E-02 N -2.170700 1.813400 -0.8618000 C -1.621900 0.6451000 -0.7276000 C -0.1838000 0.5348000 -1.191700 C 2.057300 0.7745000 -0.3668000 C 2.915700 1.090800 0.8585000 C -4.171800 1.003700 0.2837000 C -3.551600 -0.3323000 0.4061000 C -3.463400 2.013300 -0.3677000 C -1.660000 -1.760300 -0.1246000 C 4.387100 1.031300 0.5336000 C -5.455400 1.243100 0.7889000 C -4.055800 3.273600 -0.5092000 C -1.859100 -2.625300 -1.193200 C -0.8889000 -2.142500 0.9660000 C 5.068600 -0.1675000 0.6789000 C 5.034800 2.176800 9.6000001E-02 C -6.033500 2.503200 0.6417000 C -5.335000 3.517900 -7.8999996E-03 C -1.277900 -3.893100 -1.170900 C -0.3076000 -3.410300 0.9884000 C -0.5020000 -4.285600 -7.9999998E-02 C 6.429800 -0.2223000 0.3795000 C 6.396000 2.122100 -0.2035000 C 7.093700 0.9225000 -6.1900001E-02 H -1.8600000E-02 1.251100 -2.005600 H 3.3500001E-02 -0.4648000 -1.575900 H 2.297400 1.475400 -1.176700 H 2.297700 -0.2344000 -0.7257000 H 0.4199000 1.797800 0.2855000 H 2.690300 0.3882000 1.671800 H 2.669600 2.087000 1.249900 H -6.018800 0.4642000 1.295200 H -3.520000 4.076700 -1.009700 H -2.461700 -2.327700 -2.047000 H -0.7331000 -1.467800 1.803400 H 4.559900 -1.064700 1.020000 H 4.499800 3.115200 -1.9099999E-02 H -7.029000 2.692900 1.032200 H -5.784500 4.499800 -0.1229000 H -1.438000 -4.564600 -2.010500 H 0.2944000 -3.702400 1.845100 H 6.960400 -1.164000 0.4942000 H 6.900000 3.022000 -0.5467000 %chk=000063608-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000063608 0 1 Cl 0.222132 -5.963625 0.029123 Cl 8.998017 0.763541 -0.447149 O -4.402911 -1.454265 0.385611 N -2.363870 -0.476644 -0.301873 N 0.689168 0.903799 0.004639 N -2.169491 1.901219 -0.676920 C -1.651936 0.681519 -0.688110 C -0.204807 0.569219 -1.135003 C 2.130302 0.822277 -0.326768 C 2.991761 1.194262 0.906570 C -4.316446 0.955686 0.114614 C -3.760334 -0.408426 0.089393 C -3.500160 2.069364 -0.257844 C -1.726023 -1.785064 -0.237825 C 4.479461 1.099875 0.606480 C -5.662429 1.159789 0.517585 C -4.049974 3.380400 -0.218884 C -2.235422 -2.847255 -1.019115 C -0.636051 -1.994235 0.638003 C 5.194361 -0.101652 0.845421 C 5.178040 2.196197 0.038498 C -6.192653 2.459558 0.554459 C -5.381600 3.570695 0.184971 C -1.642946 -4.125313 -0.940926 C -0.034181 -3.269306 0.716532 C -0.548795 -4.314712 -0.074031 C 6.567002 -0.215910 0.528635 C 6.550302 2.105222 -0.285999 C 7.223360 0.894408 -0.035374 H -0.081069 1.264512 -1.995287 H 0.031960 -0.451164 -1.480793 H 2.415064 1.479504 -1.185197 H 2.357780 -0.217448 -0.633051 H 0.438020 1.833637 0.375404 H 2.712055 0.520164 1.736816 H 2.731664 2.224219 1.223008 H -6.258863 0.284806 0.795437 H -3.409991 4.217998 -0.512073 H -3.097971 -2.684563 -1.670353 H -0.238359 -1.155334 1.218657 H 4.677553 -0.960854 1.289410 H 4.649095 3.138587 -0.148189 H -7.229696 2.621332 0.866346 H -5.801703 4.582036 0.214443 H -2.029205 -4.955614 -1.538145 H 0.812341 -3.443909 1.386327 H 7.112682 -1.144463 0.719823 H 7.083466 2.956033 -0.719893