%chk=000065869.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000065869 0 1 Br 2.0600000E-02 4.098500 -2.082400 S -3.298600 -0.9189000 0.1753000 S 1.307400 -2.475400 -1.726600 S 4.056100 0.7581000 1.074800 O -3.306200 -1.947700 -0.8466000 O -4.545000 -0.3995000 0.7044000 N -2.299400 -1.412400 1.469800 N -0.9850000 -2.945100 0.2567000 N 2.141900 0.2083000 -0.5732000 N 1.775800 2.066300 0.8656000 N 0.1350000 2.713100 2.519800 N 0.8822000 0.5611000 2.407600 C -2.385300 0.4617000 -0.4450000 C 1.410800 -3.137600 -4.0600002E-02 C 0.1345000 -3.878700 0.3253000 C -1.432900 0.2548000 -1.427800 C -2.639400 1.723800 6.3299999E-02 C 2.956200 -1.741000 -1.823000 C 3.153900 -0.6983000 -0.7718000 C -0.7122000 1.344100 -1.917600 C -1.918700 2.812900 -0.4265000 C -1.242800 -2.355000 1.365400 C -0.9550000 2.623200 -1.416900 C 4.268000 -0.5725000 1.3800000E-02 C 2.509100 1.031100 0.3839000 C 0.9689000 1.825300 1.872200 H 1.575800 -2.326800 0.6748000 H 2.258500 -3.827900 1.8300001E-02 H 0.2358000 -4.329200 1.321200 H -4.9699999E-02 -4.709100 -0.3666000 H -2.514100 -1.031000 2.400000 H -1.240500 -0.7304000 -1.836700 H -3.378600 1.891100 0.8405000 H 3.070100 -1.280200 -2.809800 H 3.706400 -2.534900 -1.744200 H 3.3500001E-02 1.179300 -2.691200 H -2.118000 3.802600 -2.3700001E-02 H -0.7050000 -2.511300 2.314900 H 5.168900 -1.169400 2.5400000E-02 H 8.4700003E-02 3.685400 2.235800 H -0.4577000 2.419400 3.288400 H 0.2523000 0.3713000 3.180100 H 1.417200 -0.2293000 2.066800 %chk=000065869-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000065869 0 1 Br -1.115130 4.166784 -1.003395 S -4.130380 -1.649046 -0.182628 S 1.333615 -1.762446 -1.584701 S 4.898727 -0.506806 2.109348 O -4.103909 -2.494640 -1.558623 O -5.540463 -1.328521 0.566789 N -3.208472 -2.540842 1.178114 N -1.214077 -3.005735 -0.017689 N 3.221060 0.440879 0.247214 N 3.517994 1.894985 2.197351 N 2.449194 3.914401 2.608352 N 1.932660 2.743371 0.607132 C -3.204632 -0.012441 -0.379334 C 1.282496 -2.953823 -0.111375 C 0.011172 -3.818625 -0.141105 C -1.921194 -0.006789 -0.941743 C -3.902203 1.138368 0.022062 C 3.198148 -1.332278 -1.533005 C 3.672791 -0.802087 -0.214083 C -1.289952 1.246481 -1.118514 C -3.269374 2.388268 -0.164443 C -2.023637 -3.244386 0.969929 C -1.978019 2.415932 -0.733315 C 4.559944 -1.461537 0.623251 C 3.738741 0.780656 1.449380 C 2.634799 2.827410 1.779283 H 1.350155 -2.366451 0.818840 H 2.169516 -3.606980 -0.194540 H 0.101472 -4.581431 0.669996 H -0.033150 -4.359658 -1.105810 H -3.875866 -2.844122 1.897594 H -1.405884 -0.941113 -1.193957 H -4.903959 1.059399 0.456308 H 3.303558 -0.575762 -2.328961 H 3.757816 -2.237907 -1.816878 H -0.283813 1.280134 -1.544321 H -3.776587 3.311912 0.125907 H -1.843657 -4.011437 1.754513 H 5.047858 -2.420772 0.464140 H 2.986212 3.931428 3.471637 H 1.835921 4.688366 2.370669 H 1.222576 3.420588 0.328488 H 2.137435 1.886073 0.046024