%chk=000124591.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000124591 -1 1 Br 4.679500 -5.4000001E-03 -1.125900 O -2.335200 -1.636100 -0.4669000 O -4.156400 7.9200000E-02 -0.1910000 O -2.588600 1.655200 0.3211000 C 2.283900 0.1488000 0.3530000 C -0.4487000 -0.2974000 1.1600000E-02 C 1.457400 1.183900 -8.4100001E-02 C 1.744100 -1.109400 0.6193000 C 9.1100000E-02 0.9609000 -0.2547000 C 0.3778000 -1.332600 0.4486000 C 3.744900 0.3876000 0.5342000 C -1.873500 -0.5300000 -0.1645000 C -2.976400 0.4953000 -6.9999998E-04 H 1.868500 2.164800 -0.3080000 H 2.377300 -1.924300 0.9604000 H -0.4976000 1.779900 -0.6529000 H -2.6000001E-02 -2.318500 0.6644000 H 4.175900 -0.2556000 1.307400 H 3.965000 1.428500 0.7900000 %chk=000124591-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000124591 -1 1 Br 4.806344 0.157200 -1.397363 O -2.431654 -1.762616 0.489642 O -3.465039 0.460117 -1.502633 O -2.980630 1.480530 0.555855 C 2.295525 0.141937 0.319356 C -0.520999 -0.314691 0.210251 C 1.394794 1.206247 0.024805 C 1.762972 -1.160082 0.542045 C 0.006740 0.984842 -0.024747 C 0.376658 -1.383569 0.486798 C 3.749995 0.393557 0.441801 C -2.005828 -0.614362 0.136063 C -2.918571 0.530338 -0.341600 H 1.796424 2.211898 -0.154522 H 2.449838 -1.989904 0.755310 H -0.694925 1.805768 -0.205919 H -0.057250 -2.374578 0.661713 H 4.286239 -0.328688 1.072846 H 4.012366 1.430856 0.691598