PM7 SPARKLE EF PRECISE XYZ T=10D GNORM=0.25 + GEO-OK SCFCRT=1.D-10 CYCLES=3000 CHARGE=3.0 COORDINATION NUMBER = 9 Tb 0.0000000 1 0.0000000 1 0.0000000 1 O 0.8484887 1 0.6310489 1 -2.1948580 1 O 2.3803000 1 0.0000000 1 0.0000000 1 O 0.2320211 1 2.3450498 1 0.0000000 1 O -1.8910064 1 0.4195273 1 -1.3846489 1 O 0.1991350 1 -1.9203156 1 -1.3222455 1 N 1.0695699 1 0.6524827 1 2.3068239 1 N -1.7338810 1 1.2023086 1 1.5296627 1 N -2.0060817 1 -1.5523215 1 0.5533430 1 N 0.7893548 1 -2.1364688 1 1.3315581 1 O 4.6236525 1 -1.9579531 1 0.7705320 1 O -0.5909270 1 7.0167663 1 0.0382022 1 O -4.3764145 1 2.2339893 1 -1.0651608 1 O 2.2869171 1 -2.1261476 1 -3.5039219 1 N 4.3535185 1 0.7293486 1 0.7767018 1 H 4.7835009 1 1.1912050 1 1.3900564 1 N -0.4937097 1 4.4268604 1 0.3893648 1 H -1.0976426 1 4.9406336 1 0.7689947 1 N -3.9116722 1 -0.1838888 1 -2.1936758 1 H -4.5598383 1 -0.7788926 1 -2.1730064 1 N 1.0748445 1 -3.8744794 1 -1.8793972 1 H 1.5038158 1 -4.5988067 1 -1.6261178 1 C 0.2159693 1 1.6367333 1 3.0345437 1 H 0.3530835 1 2.5380940 1 2.6518243 1 H 0.4863921 1 1.6641420 1 3.9881636 1 C -1.2422256 1 1.2660542 1 2.9369914 1 H -1.3794677 1 0.3857445 1 3.3672609 1 H -1.7768324 1 1.9335877 1 3.4350884 1 C -3.0458964 1 0.5101520 1 1.5264454 1 H -3.5279109 1 0.7263991 1 0.6895432 1 H -3.5896413 1 0.8392776 1 2.2846870 1 C -2.8891683 1 -1.0001371 1 1.6409943 1 H -2.4990190 1 -1.2230510 1 2.5221366 1 H -3.7810274 1 -1.4260428 1 1.5836229 1 C -1.5522916 1 -2.9306879 1 0.9772766 1 H -2.2984268 1 -3.4042143 1 1.4248740 1 H -1.2909047 1 -3.4548027 1 0.1787313 1 C -0.3788347 1 -2.8253854 1 1.9226179 1 H -0.6622356 1 -2.3347968 1 2.7344718 1 H -0.1066916 1 -3.7357648 1 2.1994816 1 C 1.7392905 1 -1.7698156 1 2.4172928 1 H 2.6302367 1 -1.5853626 1 2.0290807 1 H 1.8295797 1 -2.5287364 1 3.0465679 1 C 1.2498312 1 -0.5408754 1 3.1730858 1 H 0.3881555 1 -0.7546167 1 3.6080106 1 H 1.9015039 1 -0.3221157 1 3.8864955 1 C 2.3653327 1 1.2842699 1 2.0264139 1 H 2.9422034 1 1.2190239 1 2.8303005 1 H 2.2270672 1 2.2434301 1 1.8273944 1 C 3.0511840 1 0.6306367 1 0.8696173 1 C 5.1247044 1 0.1145905 1 -0.2863761 1 H 6.0366883 1 0.4987253 1 -0.2922140 1 H 4.7010043 1 0.3205461 1 -1.1564179 1 C 5.2181783 1 -1.3867054 1 -0.1209497 1 C 6.0685379 1 -2.1555963 1 -1.0949178 1 C 6.0364543 1 -3.5356806 1 -1.0562011 1 H 5.4332618 1 -3.9767100 1 -0.4682619 1 C 6.8821749 1 -4.2873691 1 -1.8719627 1 H 6.8796005 1 -5.2358790 1 -1.8137188 1 C 7.7016241 1 -3.6669160 1 -2.7470461 1 H 8.2690625 1 -4.1819606 1 -3.3090185 1 C 7.7231056 1 -2.2958880 1 -2.8299466 1 H 8.2996894 1 -1.8660782 1 -3.4493054 1 C 6.8940770 1 -1.5327757 1 -1.9980837 1 H 6.8996945 1 -0.5851929 1 -2.0612145 1 C -1.9121486 1 2.5583321 1 1.0026928 1 H -2.2326672 1 3.1474249 1 1.7301197 1 H -2.6040007 1 2.5432008 1 0.2968288 1 C -0.6556746 1 3.1231254 1 0.4406752 1 C 0.6316748 1 5.0516309 1 -0.2630993 1 H 0.7884247 1 4.6147134 1 -1.1383244 1 H 1.4437032 1 4.9273444 1 0.2911964 1 C 0.3960357 1 6.5001250 1 -0.4708376 1 C 1.3497480 1 7.2985919 1 -1.2677085 1 C 2.3836145 1 6.7012948 1 -1.9892764 1 H 2.5121138 1 5.7616064 1 -1.9365160 1 C 3.2229725 1 7.4596878 1 -2.7784448 1 H 3.9178267 1 7.0450056 1 -3.2755830 1 C 3.0446419 1 8.8218149 1 -2.8393381 1 H 3.6196035 1 9.3488240 1 -3.3829473 1 C 2.0377556 1 9.4310886 1 -2.1186678 1 H 1.9173128 1 10.3740173 1 -2.1625024 1 C 1.2111895 1 8.6604641 1 -1.3338605 1 H 0.5281262 1 9.0814027 1 -0.8268833 1 C -2.8087822 1 -1.6892740 1 -0.6877691 1 H -3.7300063 1 -1.9651811 1 -0.4563816 1 H -2.4111004 1 -2.3908445 1 -1.2613161 1 C -2.8502147 1 -0.3903980 1 -1.4415286 1 C -4.0645096 1 0.9509199 1 -3.0343125 1 H -4.7429151 1 0.7507704 1 -3.7281360 1 H -3.2066604 1 1.1330718 1 -3.4919499 1 C -4.4940352 1 2.1940807 1 -2.2589165 1 C -4.9523388 1 3.4147504 1 -3.0346865 1 C -5.1657121 1 4.6157009 1 -2.3351818 1 H -5.0031245 1 4.6440757 1 -1.4000346 1 C -5.6041984 1 5.7496024 1 -2.9766820 1 H -5.7138800 1 6.5702159 1 -2.5120060 1 C -5.8819523 1 5.6412234 1 -4.3479433 1 H -6.2083320 1 6.4045688 1 -4.8105881 1 C -5.6992823 1 4.4672174 1 -5.0459587 1 H -5.8976741 1 4.4211471 1 -5.9735623 1 C -5.2245341 1 3.3699627 1 -4.3794306 1 H -5.0807273 1 2.5612685 1 -4.8561520 1 C 1.5029263 1 -3.0479082 1 0.3535341 1 H 2.4616027 1 -2.8008465 1 0.3008655 1 H 1.4419022 1 -3.9856540 1 0.6621241 1 C 0.8717816 1 -2.9164300 1 -0.9965541 1 C 0.6196809 1 -3.7797103 1 -3.2468209 1 H -0.3161558 1 -3.4550776 1 -3.2573839 1 H 0.6329599 1 -4.6809958 1 -3.6567041 1 C 1.4665918 1 -2.8583977 1 -4.0654913 1 C 1.3188221 1 -2.8533158 1 -5.5315543 1 C 0.2473731 1 -3.4931902 1 -6.1618253 1 H -0.4165710 1 -3.9336662 1 -5.6455701 1 C 0.1599532 1 -3.4820986 1 -7.5417145 1 H -0.5639996 1 -3.9221064 1 -7.9722438 1 C 1.1065145 1 -2.8402131 1 -8.2928800 1 H 1.0416288 1 -2.8485349 1 -9.2408255 1 C 2.1593800 1 -2.1776667 1 -7.6785631 1 H 2.8024444 1 -1.7177714 1 -8.2056727 1 C 2.2741175 1 -2.1835371 1 -6.3174030 1 H 3.0004792 1 -1.7346314 1 -5.9000992 1 H 0.7488229 1 1.4609867 1 -2.6166729 1 H 1.5921411 1 0.1770583 1 -2.8434751 1 0