%chk=000109513.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109513 0 1 Br 4.909300 3.299500 0.4796000 Br 4.908300 -3.300500 0.4777000 O -0.2604000 2.373200 -1.278500 O -0.2606000 -2.371300 -1.281200 O -0.6895000 -1.9999999E-04 1.441900 N -3.282900 1.1000000E-03 -1.127300 C -0.8861000 1.0000000E-03 -1.403900 C 1.322400 0.6948000 -0.7053000 C 1.322200 -0.6937000 -0.7060000 C 1.8999999E-02 1.196300 -1.147000 C 1.8999999E-02 -1.194600 -1.148500 C -2.075300 6.0000003E-04 -0.5113000 C 2.438600 1.420600 -0.3376000 C 2.438100 -1.420300 -0.3384000 C 3.593000 0.7143000 4.4900000E-02 C 3.592600 -0.7147000 4.4700000E-02 C -1.916400 9.9999997E-05 0.8630000 C -4.392500 3.0000001E-04 -0.3646000 C -4.327200 -3.9999999E-04 1.044600 C 4.757200 1.396400 0.4294000 C 4.756300 -1.397400 0.4295000 C -3.061600 -3.0000001E-04 1.646400 C 5.902400 0.6950000 0.8081000 C 5.902000 -0.6969000 0.8083000 C -5.649900 3.9999999E-04 -0.9621000 C -5.505900 -1.3000000E-03 1.809500 C -6.821900 -6.0000003E-04 -0.2018000 C -6.750300 -1.4000000E-03 1.185700 H -1.154300 1.7000000E-03 -2.466800 H 2.383800 2.502900 -0.3580000 H 2.382800 -2.502500 -0.3594000 H -2.975100 -7.9999998E-04 2.731200 H 6.809100 1.215200 1.107800 H 6.808400 -1.217600 1.107800 H -5.733000 1.0000000E-03 -2.047400 H -5.461200 -1.9000000E-03 2.896300 H -0.7945000 -6.0000003E-04 2.408700 H -7.788700 -6.9999998E-04 -0.6968000 H -7.658900 -2.2000000E-03 1.780100 %chk=000109513-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109513 0 1 Br 5.190685 3.367972 0.172329 Br 5.191056 -3.368584 0.167086 O -0.307043 2.426034 -0.628837 O -0.306543 -2.426171 -0.632999 O -0.985939 0.000288 1.818732 N -3.304094 -0.000050 -1.005390 C -0.853259 0.000151 -0.952272 C 1.445340 0.714428 -0.446987 C 1.445397 -0.714489 -0.447954 C 0.056929 1.227015 -0.661069 C 0.056827 -1.226873 -0.661447 C -2.193348 0.000003 -0.254271 C 2.618447 1.435825 -0.252599 C 2.618614 -1.436062 -0.254897 C 3.851916 0.734946 -0.051334 C 3.852005 -0.735362 -0.052528 C -2.237588 0.000034 1.187221 C -4.541720 -0.000138 -0.372088 C -4.668268 -0.000180 1.071264 C 5.105410 1.409178 0.156009 C 5.105564 -1.409777 0.153812 C -3.463414 -0.000080 1.847160 C 6.295874 0.713200 0.351506 C 6.295951 -0.713973 0.350397 C -5.719823 -0.000208 -1.181150 C -5.975687 -0.000288 1.654526 C -6.984545 -0.000318 -0.585735 C -7.111626 -0.000360 0.839796 H -1.082706 0.000487 -2.038349 H 2.600280 2.529442 -0.251911 H 2.600516 -2.529679 -0.255610 H -3.521314 -0.000052 2.943393 H 7.236018 1.248699 0.506337 H 7.236154 -1.249610 0.504395 H -5.590401 -0.000179 -2.267655 H -6.076305 -0.000309 2.746587 H -1.066137 0.000358 2.804380 H -7.885422 -0.000373 -1.208584 H -8.109502 -0.000443 1.292035