%chk=000052137.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000052137 1 1 Br 0.2881000 2.704800 -0.2096000 N -2.073300 -0.2117000 0.1121000 C -1.045300 -8.9400001E-02 -1.003600 C -3.473900 -0.1282000 -0.4772000 C -1.898700 -1.548600 0.8181000 C -1.875000 0.9193000 1.111000 C 0.3695000 -0.1616000 -0.5098000 C 1.071100 0.9792000 -0.1302000 C 0.9721000 -1.414800 -0.4403000 C 2.385600 0.8660000 0.3228000 C 2.286600 -1.527700 1.2600000E-02 C 2.993300 -0.3874000 0.3940000 H -1.256400 0.8294000 -1.561900 H -1.241200 -0.9085000 -1.709400 H -3.602900 -0.9562000 -1.180500 H -4.199900 -0.2034000 0.3378000 H -3.578200 0.8314000 -0.9922000 H -0.9747000 -1.545300 1.401500 H -2.742300 -1.678600 1.504200 H -1.908700 -2.348200 7.1800001E-02 H -0.9043000 0.8443000 1.601300 H -2.099000 1.868000 0.6231000 H -2.632000 0.7806000 1.893300 H 0.4440000 -2.314100 -0.7452000 H 2.952300 1.743300 0.6244000 H 2.761000 -2.503300 6.5300003E-02 H 4.017000 -0.4756000 0.7459000 %chk=000052137-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000052137 1 1 Br 0.440646 2.821518 -0.538985 N -2.140737 -0.251702 0.156911 C -1.031077 -0.107709 -0.956555 C -3.496107 -0.055663 -0.520814 C -2.091491 -1.639070 0.789934 C -1.965279 0.799324 1.249600 C 0.394274 -0.149789 -0.462565 C 1.173399 1.020408 -0.230965 C 1.046215 -1.407452 -0.306723 C 2.521065 0.945589 0.177570 C 2.390028 -1.499483 0.105241 C 3.125672 -0.319064 0.355904 H -1.256899 0.847921 -1.457666 H -1.235811 -0.936855 -1.655168 H -3.608642 -0.796633 -1.327267 H -4.295639 -0.191492 0.223470 H -3.546654 0.961067 -0.938958 H -1.117157 -1.778272 1.279019 H -2.898088 -1.716299 1.535339 H -2.233943 -2.400114 0.007238 H -0.986488 0.658838 1.730082 H -2.010701 1.800678 0.798754 H -2.771396 0.675386 1.989415 H 0.494497 -2.325231 -0.543947 H 3.096611 1.860595 0.340937 H 2.865482 -2.478947 0.211088 H 4.173020 -0.373851 0.668411