%chk=000053906.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000053906 0 1 Cl -0.9187000 1.837800 -2.049300 O 1.533000 1.619400 1.589600 N 2.568500 -0.3682000 5.6100000E-02 N -0.6603000 1.166000 0.8898000 C 1.171000 -0.4598000 0.4661000 C 2.736300 0.6591000 -0.9727000 C 3.046400 -1.661800 -0.4342000 C 0.7183000 0.8815000 1.028800 C -1.532500 0.2978000 0.1246000 C 4.187500 0.7661000 -1.410100 C 2.940900 -2.729600 0.6414000 C -2.149700 -0.7302000 0.7900000 C -1.261800 2.401200 1.416200 C -1.698100 0.5414000 -1.213900 C -2.991800 -1.573500 6.5099999E-02 C -1.961600 -0.9862000 2.250400 C -2.540100 -0.3019000 -1.938800 C -3.187200 -1.359300 -1.299200 H 0.5700000 -0.8019000 -0.3781000 H 1.042400 -1.163600 1.293800 H 2.113400 0.4500000 -1.852100 H 2.451700 1.652400 -0.6130000 H 2.507400 -1.985700 -1.333500 H 4.110600 -1.615700 -0.6859000 H 4.868500 0.8182000 -0.5538000 H 4.492600 -5.7100002E-02 -2.063500 H 4.325900 1.685800 -1.990200 H 3.360200 -2.389100 1.594400 H 1.910000 -3.059300 0.8039000 H 3.506600 -3.616800 0.3347000 H -2.272200 2.202800 1.784700 H -1.294400 3.149600 0.6200000 H -0.6485000 2.789700 2.234100 H -3.502600 -2.403000 0.5469000 H -0.9471000 -1.336100 2.458700 H -2.161400 -8.3999999E-02 2.837100 H -2.651700 -1.755200 2.615700 H -2.703000 -0.1492000 -3.002700 H -3.842500 -2.016100 -1.863800 %chk=000053906-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000053906 0 1 Cl -1.909756 1.765581 -2.251130 O 1.379676 2.091225 0.822743 N 2.536470 -0.312292 -0.285371 N -0.773482 1.253985 0.555440 C 1.113983 0.008517 -0.492641 C 3.454926 0.677129 -0.920580 C 2.851455 -1.718068 -0.657139 C 0.617111 1.193881 0.359528 C -1.689743 0.244924 0.091435 C 4.841039 0.713980 -0.251642 C 2.339460 -2.748744 0.368358 C -2.018648 -0.864094 0.930721 C -1.361518 2.427125 1.237820 C -2.323741 0.355235 -1.170676 C -2.960343 -1.815762 0.467733 C -1.349040 -1.020616 2.283048 C -3.261062 -0.587289 -1.631187 C -3.576887 -1.681813 -0.796362 H 0.875892 0.256716 -1.561884 H 0.510828 -0.883214 -0.252646 H 3.560245 0.476469 -2.018264 H 2.992056 1.669991 -0.803609 H 2.462570 -1.972879 -1.677338 H 3.951192 -1.802720 -0.714580 H 4.726538 0.961758 0.817220 H 5.376316 -0.250505 -0.329241 H 5.474111 1.485447 -0.728762 H 2.744776 -2.516569 1.368562 H 1.235473 -2.758597 0.438308 H 2.659035 -3.768250 0.082099 H -1.937776 2.114935 2.128276 H -2.029112 2.980404 0.552446 H -0.529909 3.079487 1.548092 H -3.213161 -2.668226 1.108022 H -0.261385 -1.194783 2.179742 H -1.459707 -0.111844 2.901152 H -1.779280 -1.870751 2.838257 H -3.727986 -0.467991 -2.612761 H -4.304613 -2.426282 -1.135886