%chk=000054210.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000054210 0 1 Br 3.962700 1.175500 -1.9999999E-04 O -3.043100 1.291000 -3.0000001E-04 N -1.815500 -0.7195000 3.0000001E-04 N -4.126500 -0.7208000 -3.0000001E-04 C 1.874400 -0.8120000 -9.9999997E-05 C -0.4861000 -0.2962000 3.0000001E-04 C 0.5453000 -1.235500 9.9999997E-05 C 2.172000 0.5509000 -9.9999997E-05 C -0.1885000 1.066400 3.0000001E-04 C 1.140500 1.490000 9.9999997E-05 C 2.946200 -1.854000 -1.9999999E-04 C -2.981400 6.4199999E-02 0.000000 H 0.3078000 -2.297100 9.9999997E-05 H -0.9318000 1.851500 6.0000003E-04 H 1.354200 2.555900 9.9999997E-05 H 3.570700 -1.766400 -0.8953000 H 3.570800 -1.766500 0.8949000 H 2.529400 -2.867400 -1.9999999E-04 H -1.958200 -1.726600 3.0000001E-04 H -5.050000 -0.3007000 -6.9999998E-04 H -4.079200 -1.734000 -9.9999997E-05 %chk=000054210-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000054210 0 1 Br 4.059182 1.177395 -0.000023 O -3.088339 1.281156 -0.000136 N -1.844802 -0.732600 0.000145 N -4.190778 -0.766879 -0.000146 C 1.901652 -0.831674 -0.000038 C -0.512001 -0.240311 0.000094 C 0.535505 -1.200555 0.000001 C 2.187045 0.558079 0.000015 C -0.189412 1.141937 0.000143 C 1.166522 1.528003 0.000101 C 2.983764 -1.891896 -0.000131 C -3.035197 0.016845 0.000125 H 0.290175 -2.271472 -0.000045 H -0.988527 1.884623 0.000208 H 1.422993 2.591514 0.000143 H 3.637747 -1.794825 -0.886332 H 3.637749 -1.794976 0.886085 H 2.547468 -2.905007 -0.000217 H -1.930188 -1.750661 0.000126 H -5.075535 -0.265546 -0.000383 H -4.201322 -1.784451 -0.000134