%chk=000152502.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000152502 0 1 N 0.1198000 -1.636600 4.9600001E-02 N 4.780700 -1.150700 0.2259000 N 2.049000 2.621600 -0.3192000 N 1.055800 0.5054000 -0.1385000 N 2.453500 -1.425100 0.1403000 N 3.440700 0.7538000 -4.8799999E-02 C -3.131500 0.1513000 0.3136000 C -4.007600 -0.8112000 -0.2423000 C -1.259700 -1.359800 -4.8900001E-02 C -1.760200 -0.1385000 0.4028000 C -3.486400 -2.035200 -0.6922000 C -2.121300 -2.306400 -0.5954000 C 1.262500 -0.8141000 1.5500000E-02 C -3.652400 1.375600 0.7631000 C -5.378800 -0.5213000 -0.3315000 C 3.495900 -0.5796000 9.9500000E-02 C 2.188700 1.225800 -0.1614000 C -5.017600 1.646800 0.6668000 C -5.879100 0.7001000 0.1207000 C 4.933400 -2.581900 0.3904000 C 5.962300 -0.3137000 0.1786000 C 0.7343000 3.216500 -0.4476000 C 3.218000 3.477100 -0.3409000 H -1.112900 0.5958000 0.8743000 H -4.141300 -2.789700 -1.123000 H -1.743600 -3.261500 -0.9515000 H 0.3507000 -2.625600 3.1399999E-02 H -2.997700 2.131000 1.192900 H -6.070700 -1.246400 -0.7550000 H -5.407600 2.597600 1.018100 H -6.941700 0.9117000 4.6000000E-02 H 4.419800 -2.926000 1.295000 H 4.524400 -3.117400 -0.4735000 H 5.984400 -2.875200 0.4850000 H 6.028000 0.2106000 -0.7811000 H 5.945800 0.4273000 0.9854000 H 6.883200 -0.8954000 0.2933000 H 0.7858000 4.301400 -0.5883000 H 0.1372000 3.034400 0.4527000 H 0.2031000 2.804300 -1.312600 H 3.775200 3.396400 0.5991000 H 2.953400 4.531900 -0.4705000 H 3.881900 3.206200 -1.169300 %chk=000152502-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000152502 0 1 N 0.135604 -1.541751 -0.020541 N 4.781248 -1.194214 0.014665 N 2.189432 2.726938 0.005714 N 1.089185 0.650065 -0.003665 N 2.437882 -1.385232 -0.007221 N 3.534306 0.800292 0.012932 C -3.223989 0.203290 -0.024144 C -4.101112 -0.949944 -0.043262 C -1.250253 -1.264041 -0.027562 C -1.803974 0.026183 -0.016587 C -3.505124 -2.254657 -0.053618 C -2.123519 -2.411175 -0.045894 C 1.243441 -0.703684 -0.009986 C -3.815589 1.512037 -0.013718 C -5.520077 -0.756232 -0.050902 C 3.551747 -0.577454 0.006554 C 2.279827 1.354718 0.004648 C -5.203361 1.673171 -0.021613 C -6.066038 0.530522 -0.040289 C 4.850680 -2.666091 0.002568 C 6.002684 -0.370534 0.022377 C 0.863105 3.368924 0.001366 C 3.425721 3.528061 0.034581 H -1.131773 0.886397 0.000134 H -4.155384 -3.137314 -0.067528 H -1.684859 -3.417317 -0.053430 H 0.410638 -2.527470 -0.027862 H -3.156439 2.388517 0.000572 H -6.175443 -1.635836 -0.065316 H -5.639755 2.678319 -0.013553 H -7.152527 0.670700 -0.046244 H 4.326988 -3.095574 0.875277 H 4.372955 -3.081260 -0.903330 H 5.908941 -2.971581 0.027172 H 6.055488 0.274266 -0.873608 H 6.028651 0.293210 0.905126 H 6.879902 -1.036986 0.042390 H 0.997275 4.460400 -0.066760 H 0.297201 3.131251 0.921413 H 0.260915 3.024249 -0.858122 H 4.020257 3.310433 0.940395 H 3.158105 4.596748 0.023032 H 4.064439 3.300955 -0.837662