%chk=000108700.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108700 0 1 Br 6.619200 -0.5483000 -3.4100000E-02 O -6.247200 -0.4187000 1.4800000E-02 C -4.4199999E-02 0.4698000 4.8000002E-03 C -1.298500 -0.4068000 -2.5300000E-02 C 1.228500 -0.3799000 2.9200001E-02 C -2.569700 0.4451000 -1.7500000E-02 C 2.481200 0.4991000 2.0900000E-02 C -3.854200 -0.3839000 -3.3199999E-02 C 3.784900 -0.3029000 5.8600001E-02 C -5.124700 0.4545000 1.0400000E-02 C 5.024600 0.5721000 -2.8500000E-02 H -3.4100000E-02 1.123800 -0.8757000 H -6.8200000E-02 1.118100 0.8891000 H -1.286300 -1.039600 -0.9209000 H -1.301800 -1.075400 0.8439000 H 1.231400 -1.014600 0.9235000 H 1.244600 -1.046600 -0.8414000 H -2.564300 1.113400 -0.8874000 H -2.569200 1.085200 0.8736000 H 2.473000 1.126600 -0.8792000 H 2.455500 1.179200 0.8813000 H -3.874000 -1.019700 -0.9275000 H -3.852400 -1.076900 0.8181000 H 3.813600 -0.8980000 0.9803000 H 3.783400 -1.020500 -0.7721000 H -5.163300 1.079700 0.9078000 H -5.197200 1.101900 -0.8687000 H 5.049800 1.154600 -0.9533000 H 5.112500 1.242900 0.8303000 H -6.191800 -0.9643000 0.8178000 %chk=000108700-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000108700 0 1 Br 6.790140 -0.554300 0.010313 O -6.404994 -0.400096 -0.033178 C -0.038062 0.485590 0.001651 C -1.316082 -0.382877 0.010525 C 1.262749 -0.348188 0.006431 C -2.617472 0.450711 0.003687 C 2.540372 0.523146 -0.001173 C -3.895296 -0.419652 0.012865 C 3.835233 -0.331131 0.005847 C -5.183846 0.422506 0.006364 C 5.080060 0.556918 -0.001753 H -0.048960 1.144235 -0.891852 H -0.046184 1.158779 0.884395 H -1.308820 -1.057081 -0.870964 H -1.306723 -1.040604 0.904747 H 1.274195 -1.006937 0.899364 H 1.272129 -1.019646 -0.876901 H -2.626966 1.106364 -0.891820 H -2.621926 1.127569 0.883945 H 2.530366 1.179117 -0.896060 H 2.530736 1.194273 0.882457 H -3.904659 -1.089069 -0.869304 H -3.887009 -1.073828 0.911164 H 3.847220 -0.981783 0.900623 H 3.847103 -0.996712 -0.877830 H -5.197667 1.107955 0.882665 H -5.242615 1.034750 -0.909827 H 5.160020 1.172239 -0.911588 H 5.158664 1.189628 0.896194 H -6.420605 -0.981977 0.768612