%chk=000132245.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000132245 0 1 Br 0.8590000 2.897500 0.1435000 N -3.702400 0.9103000 -0.2763000 N -1.403800 0.7581000 -0.4022000 N -2.740000 -1.030800 0.3990000 N 3.502800 0.8808000 0.2757000 N 4.465400 -5.6000002E-02 0.3007000 C -4.858300 0.1604000 0.1104000 C -4.219600 -1.157700 0.5662000 C -2.570100 0.1771000 -8.3600000E-02 C -0.1055000 0.2029000 -0.2886000 C 2.245800 0.3880000 5.0299998E-02 C 2.409700 -0.9864000 -8.1699997E-02 C 1.004000 1.019700 -4.6900000E-02 C 3.0700000E-02 -1.179800 -0.4253000 C 1.285600 -1.793400 -0.3243000 C 3.796500 -1.190600 8.2999997E-02 H -5.537800 7.1999999E-03 -0.7329000 H -5.397800 0.6487000 0.9271000 H -4.451100 -1.363100 1.616700 H -4.582900 -1.997900 -3.5100002E-02 H -3.741100 1.854600 -0.6394000 H -1.407400 1.754500 -0.6009000 H -0.8021000 -1.829500 -0.6743000 H 1.382100 -2.868100 -0.4457000 H 3.771400 1.846100 0.4204000 H 4.346400 -2.120600 5.3100001E-02 %chk=000132245-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000132245 0 1 Br 0.917642 2.976822 -0.210450 N -3.750380 1.009512 -0.023626 N -1.371419 0.792030 -0.043503 N -2.867209 -1.120116 0.085921 N 3.610863 0.947809 -0.134127 N 4.602490 -0.042956 -0.091844 C -4.974780 0.187279 0.043302 C -4.358533 -1.266796 0.107550 C -2.622345 0.174880 0.008759 C -0.098832 0.190330 -0.030356 C 2.331664 0.419970 -0.083228 C 2.493463 -1.008168 -0.001021 C 1.054827 1.010816 -0.098142 C 0.065691 -1.239095 0.051801 C 1.335213 -1.827266 0.066224 C 3.920357 -1.213912 -0.011004 H -5.611085 0.330743 -0.850530 H -5.575760 0.424453 0.941865 H -4.663886 -1.795324 1.028585 H -4.680270 -1.881016 -0.753103 H -3.749839 2.024166 -0.092583 H -1.366494 1.813614 -0.092101 H -0.852488 -1.831867 0.101590 H 1.426134 -2.916390 0.129767 H 3.891574 1.923110 -0.196793 H 4.472902 -2.150627 0.035946