%chk=000109922.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109922 0 1 Br -3.575700 -1.015700 -2.884000 Br 3.577400 -1.014600 2.884000 Br -3.584100 -1.013100 2.884900 Br 3.582400 -1.014400 -2.884900 O -2.671400 2.538000 -1.3000000E-03 O 2.671400 2.537900 1.0000000E-03 N -2.808100 -6.8400003E-02 1.1000000E-03 N 2.808100 -6.8400003E-02 -1.0000000E-03 C -0.6982000 1.225000 3.9999999E-04 C 0.6983000 1.225000 -1.9999999E-04 C -1.396500 1.1600000E-02 1.2000001E-03 C 1.396500 1.1600000E-02 -3.0000001E-04 C -0.6982000 3.771200 9.9999997E-05 C 0.6983000 3.771200 -5.0000002E-04 C -1.447500 2.498200 1.9999999E-04 C 1.447500 2.498100 -5.0000002E-04 C -0.6967000 -1.195400 1.3000000E-03 C 0.6967000 -1.195400 6.0000003E-04 C -1.396400 4.984800 3.9999999E-04 C 1.396600 4.984600 -1.0000000E-03 C -3.698400 -1.156600 3.0000001E-04 C 3.698300 -1.156800 -3.0000001E-04 C -0.6965000 6.191700 9.9999997E-05 C 0.6969000 6.191700 -7.9999998E-04 C -4.145500 -1.704100 -1.208200 C 4.146300 -1.703700 1.208100 C -4.148000 -1.703900 1.207900 C 4.147200 -1.704400 -1.207900 C -5.473000 -3.322300 -1.6000000E-03 C 5.472800 -3.322500 1.3000000E-03 C -5.029700 -2.783000 -1.209000 C 5.030300 -2.782700 1.208900 C -5.032400 -2.782800 1.206900 C 5.031500 -2.783400 -1.207100 C -6.420000 -4.474500 -2.0999999E-03 C 6.419800 -4.474700 1.8000000E-03 H -1.204900 -2.155900 1.9000000E-03 H 1.204800 -2.155900 6.0000003E-04 H -3.292400 0.8220000 1.3800000E-02 H 3.292400 0.8220000 -1.2600000E-02 H -2.482600 5.014500 8.9999998E-04 H 2.482900 5.014100 -1.6000000E-03 H -1.238700 7.133000 3.9999999E-04 H 1.239300 7.132800 -1.2000001E-03 H -5.375900 -3.210000 -2.147700 H 5.380100 -3.206800 2.147500 H -5.381000 -3.209500 2.144800 H 5.382600 -3.208000 -2.145000 H -7.066500 -4.454900 -0.8861000 H -7.076300 -4.447200 0.8744000 H -5.864200 -5.417300 4.9000001E-03 H 6.273000 -5.107000 0.8840000 H 7.452500 -4.112100 -2.0000001E-03 H 6.268000 -5.111500 -0.8764000 %chk=000109922-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000109922 0 1 Br -3.506612 -0.975927 -2.914046 Br 3.484485 -0.993208 2.913151 Br -3.562466 -0.933834 2.921078 Br 3.554795 -0.943691 -2.921586 O -2.771170 2.591266 0.009300 O 2.772976 2.584738 -0.008368 N -2.822705 0.047116 0.005252 N 2.818907 0.041469 -0.005841 C -0.723894 1.297532 0.001053 C 0.722676 1.296000 -0.002106 C -1.440020 0.050846 0.001982 C 1.436237 0.047923 -0.003380 C -0.710597 3.831893 0.001865 C 0.715261 3.830297 -0.002519 C -1.467997 2.558478 0.004481 C 1.469685 2.555151 -0.004589 C -0.695929 -1.179428 0.000438 C 0.689738 -1.180871 -0.001975 C -1.411905 5.065450 0.003946 C 1.419352 5.062269 -0.004848 C -3.633709 -1.119759 0.004128 C 3.627267 -1.127266 -0.004549 C -0.705320 6.282042 0.001590 C 0.715509 6.280448 -0.002852 C -4.080949 -1.728407 -1.202881 C 4.067787 -1.740308 1.202667 C -4.106524 -1.709875 1.210622 C 4.098521 -1.719114 -1.210742 C -5.386982 -3.413935 0.003372 C 5.367623 -3.431059 -0.002732 C -4.936898 -2.846374 -1.214728 C 4.913648 -2.865898 1.215047 C -4.963437 -2.827033 1.221854 C 4.945368 -2.843939 -1.221549 C -6.288088 -4.635235 0.003339 C 6.308668 -4.621963 -0.001298 H -1.241280 -2.128255 0.002053 H 1.233182 -2.130813 -0.003202 H -3.229702 1.024898 0.010405 H 3.227937 1.018400 -0.009805 H -2.505556 5.035190 0.007406 H 2.512931 5.029557 -0.008220 H -1.250462 7.232171 0.003176 H 1.262776 7.229355 -0.004689 H -5.257619 -3.273419 -2.169712 H 5.223732 -3.300632 2.170074 H -5.304222 -3.239386 2.176345 H 5.279733 -3.261891 -2.175880 H -6.920920 -4.670112 -0.900007 H -6.949618 -4.649041 0.886508 H -5.689669 -5.566288 0.023994 H 6.153516 -5.258297 0.886779 H 7.364106 -4.288541 0.011123 H 6.170933 -5.246594 -0.900528