%chk=000115794.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000115794 0 1 Br 0.5032000 1.877300 1.258000 Br -0.6185000 -1.769500 -1.471600 Cl 0.5645000 -1.091900 1.800500 P -3.263700 -0.2002000 -0.4040000 O 3.050400 0.1346000 0.5647000 O -1.819800 -6.1999999E-02 0.3164000 O -3.372400 1.145200 -1.301000 O -4.321900 3.3900000E-02 0.8000000 O -3.460600 -1.471200 -1.180300 C 4.287100 1.5300000E-02 -0.1225000 C 1.945900 -1.8700000E-02 -0.3225000 C 0.6087000 6.6500001E-02 0.4281000 C 4.361600 -1.374800 -0.7525000 C 5.403200 0.2005000 0.9032000 C 4.355100 1.103000 -1.193500 C -0.6331000 -7.8599997E-02 -0.4703000 C -3.206800 2.415400 -0.6942000 C -4.383000 -0.9247000 1.841500 H 1.988300 -0.9918000 -0.8113000 H 1.936600 0.7624000 -1.089000 H 3.771100 -1.467800 -1.670200 H 5.393000 -1.611800 -1.039600 H 4.020300 -2.148700 -5.5199999E-02 H 5.328300 -0.5502000 1.698300 H 5.322800 1.178200 1.392200 H 6.394800 0.1227000 0.4459000 H 5.381400 1.216600 -1.562300 H 4.029500 2.072300 -0.7987000 H 3.744100 0.8811000 -2.074900 H -0.6783000 0.7089000 -1.229600 H -3.500900 3.184000 -1.413400 H -3.838100 2.504800 0.1932000 H -2.160900 2.570100 -0.4251000 H -4.620300 -1.908900 1.429400 H -3.427000 -0.9632000 2.370100 H -5.167700 -0.6318000 2.543100 %chk=000115794-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000115794 0 1 Br 0.485730 2.422112 -0.189359 Br -0.579351 -2.251358 -0.540306 Cl 0.738984 0.070121 1.938230 P -3.315182 0.635563 -0.548114 O 3.046814 0.675505 -0.131163 O -1.782050 0.225119 0.281642 O -3.599472 2.241356 -0.087746 O -4.430259 -0.190944 0.452480 O -3.263940 0.365692 -2.104564 C 4.404538 0.051419 -0.320763 C 1.916131 -0.099793 -0.592434 C 0.642662 0.405466 0.103421 C 4.537139 -1.215042 0.555889 C 5.342251 1.165227 0.178084 C 4.644273 -0.254940 -1.815811 C -0.663888 -0.162970 -0.485554 C -3.495108 2.650925 1.343442 C -4.457742 -1.678414 0.443050 H 2.020024 -1.174981 -0.349759 H 1.767656 0.004402 -1.690441 H 3.914207 -2.051207 0.187947 H 5.585897 -1.563396 0.556653 H 4.241601 -0.988139 1.594764 H 5.125644 1.398808 1.234518 H 5.191265 2.083416 -0.414993 H 6.397782 0.851724 0.090607 H 5.681019 -0.604860 -1.970281 H 4.490790 0.654156 -2.423934 H 3.968757 -1.047404 -2.187590 H -0.761706 0.078264 -1.559151 H -3.742766 3.721679 1.327016 H -4.221244 2.088583 1.953209 H -2.465505 2.492995 1.705513 H -4.685629 -2.052982 -0.569690 H -3.494274 -2.081760 0.799044 H -5.268149 -1.937342 1.139046