PM7 SPARKLE PRECISE NOINTER XYZ T=10D GNORM=0.25 + NOLOG GEO-OK EF SCFCRT=1.D-10 CHARGE=3.0 COORDINATION NUMBER = 8 Lu 0.000000 1 0.000000 1 0.000000 1 N 2.412000 1 0.000000 1 0.000000 1 N 0.939725 1 -2.261647 1 -0.238014 1 N -2.020645 1 0.580786 1 1.254923 1 N -0.053257 1 -0.928778 1 2.238666 1 N -1.711725 1 -1.184966 1 -1.218030 1 N 0.564394 1 -0.283561 1 -2.378221 1 N 0.513977 1 1.966083 1 1.364398 1 N -0.635847 1 2.095775 1 -1.039288 1 C 3.154711 1 1.135348 1 0.000000 1 H 2.710838 1 1.933009 1 0.181942 1 C 4.487963 1 1.207500 1 -0.242240 1 H 4.934707 1 2.023280 1 -0.228264 1 C 5.163927 1 0.024548 1 -0.510397 1 H 6.074491 1 0.032069 1 -0.691344 1 C 4.474136 1 -1.141261 1 -0.506129 1 H 4.936044 1 -1.937989 1 -0.634888 1 C 3.080152 1 -1.182019 1 -0.314329 1 C 2.316518 1 -2.363172 1 -0.396426 1 C 2.866796 1 -3.653783 1 -0.614030 1 H 3.780561 1 -3.732520 1 -0.771080 1 C 2.108020 1 -4.775374 1 -0.601894 1 H 2.492871 1 -5.611532 1 -0.725990 1 C 0.742954 1 -4.647632 1 -0.397373 1 H 0.191279 1 -5.396243 1 -0.371011 1 C 0.228250 1 -3.383330 1 -0.234832 1 H -0.690970 1 -3.305788 1 -0.112962 1 C -3.017260 1 1.315841 1 0.731858 1 H -2.994627 1 1.496261 1 -0.179071 1 C -4.071573 1 1.817658 1 1.458720 1 H -4.736997 1 2.323490 1 1.050305 1 C -4.115333 1 1.549185 1 2.838461 1 H -4.809832 1 1.876970 1 3.362101 1 C -3.128967 1 0.804803 1 3.393368 1 H -3.156058 1 0.613793 1 4.302933 1 C -2.058028 1 0.311249 1 2.606196 1 C -1.001130 1 -0.470588 1 3.140025 1 C -0.890527 1 -0.805058 1 4.512846 1 H -1.538587 1 -0.503908 1 5.110200 1 C 0.140172 1 -1.555171 1 4.976616 1 H 0.206042 1 -1.765491 1 5.878477 1 C 1.106644 1 -2.006099 1 4.059183 1 H 1.825724 1 -2.519533 1 4.342898 1 C 0.963500 1 -1.667994 1 2.736601 1 H 1.611610 1 -1.969808 1 2.142918 1 C -2.797500 1 -1.741594 1 -0.623225 1 H -2.966250 1 -1.502610 1 0.260404 1 C -3.655843 1 -2.615504 1 -1.205062 1 H -4.381600 1 -2.960861 1 -0.735601 1 C -3.418979 1 -2.977186 1 -2.524642 1 H -3.978393 1 -3.580620 1 -2.956309 1 C -2.358873 1 -2.438715 1 -3.172361 1 H -2.230199 1 -2.640541 1 -4.071446 1 C -1.447378 1 -1.582672 1 -2.527575 1 C -0.283715 1 -1.078427 1 -3.141273 1 C 0.069708 1 -1.317012 1 -4.495526 1 H -0.459813 1 -1.886574 1 -5.004803 1 C 1.153993 1 -0.744447 1 -5.071937 1 H 1.353401 1 -0.898745 1 -5.965963 1 C 1.956700 1 0.079402 1 -4.298320 1 H 2.701772 1 0.499010 1 -4.662948 1 C 1.618761 1 0.257899 1 -2.977814 1 H 2.170515 1 0.800291 1 -2.462514 1 C 1.125262 1 1.885695 1 2.559086 1 H 1.479659 1 1.065482 1 2.812339 1 C 1.258974 1 2.939932 1 3.431629 1 H 1.688947 1 2.832519 1 4.249580 1 C 0.725126 1 4.185007 1 3.057160 1 H 0.792528 1 4.918362 1 3.624273 1 C 0.111563 1 4.301131 1 1.855080 1 H -0.235643 1 5.123731 1 1.594574 1 C -0.009404 1 3.185310 1 0.987900 1 C -0.644931 1 3.254128 1 -0.278847 1 C -1.251397 1 4.429464 1 -0.787167 1 H -1.241259 1 5.207438 1 -0.275152 1 C -1.849472 1 4.445701 1 -2.005377 1 H -2.247563 1 5.219659 1 -2.327684 1 C -1.849391 1 3.262571 1 -2.766303 1 H -2.250696 1 3.239077 1 -3.603381 1 C -1.246642 1 2.146212 1 -2.245295 1 H -1.258346 1 1.371461 1 -2.758348 1 0