PM7 SPARKLE PRECISE T=10D GNORM=0.25 + NOLOG EF GEO-OK SCFCRT=1.D-10 NOINTER XYZ COORDINATION NUMBER = 9 Nd 0.000000 1 0.000000 1 0.000000 1 O 2.497600 1 0.000000 1 0.000000 1 O -1.694629 1 1.955216 1 0.000000 1 O -2.244654 1 -1.122471 1 0.207171 1 N 0.554511 1 1.230363 1 -2.040369 1 N -0.489640 1 0.418395 1 -2.439460 1 N 0.626631 1 -2.259973 1 0.704959 1 N 0.522337 1 -2.315797 1 -0.661028 1 N -0.188346 1 0.490191 1 2.363157 1 N 0.605125 1 1.464197 1 1.881124 1 C 0.853746 1 2.045316 1 -3.071981 1 C 0.020823 1 1.724432 1 -4.122080 1 C -0.813496 1 0.733183 1 -3.703181 1 C 1.897356 1 3.063120 1 -2.976155 1 C 1.869747 1 4.161488 1 -3.831005 1 C 2.810842 1 5.123224 1 -3.763031 1 C 3.828024 1 5.015198 1 -2.861324 1 C 3.849216 1 3.945911 1 -1.990796 1 C 2.888540 1 2.985680 1 -2.048233 1 C -1.872143 1 0.063284 1 -4.385177 1 C -2.087514 1 0.362681 1 -5.754478 1 C -3.134360 1 -0.245996 1 -6.402651 1 C -3.971538 1 -1.100876 1 -5.783788 1 C -3.779647 1 -1.385490 1 -4.468957 1 C -2.723959 1 -0.796456 1 -3.753058 1 C 0.833874 1 -3.491087 1 1.149739 1 C 0.860658 1 -4.358895 1 0.073997 1 C 0.654617 1 -3.586560 1 -1.044025 1 C 1.001887 1 -3.788429 1 2.571700 1 C 1.044359 1 -2.771055 1 3.502677 1 C 1.287233 1 -3.017438 1 4.839329 1 C 1.477434 1 -4.327229 1 5.259759 1 C 1.406178 1 -5.347982 1 4.367384 1 C 1.163969 1 -5.097673 1 3.031030 1 C 0.625032 1 -3.904551 1 -2.438830 1 C 0.029314 1 -2.996836 1 -3.347023 1 C -0.012334 1 -3.351933 1 -4.699979 1 C 0.522684 1 -4.544346 1 -5.128825 1 C 1.126560 1 -5.426618 1 -4.213717 1 C 1.138382 1 -5.101293 1 -2.902937 1 C -0.406130 1 0.735200 1 3.676463 1 C 0.227783 1 1.811517 1 4.047279 1 C 0.871758 1 2.309084 1 2.901061 1 C -1.337209 1 -0.151767 1 4.416562 1 C -2.120458 1 -1.093682 1 3.807004 1 C -3.102842 1 -1.835265 1 4.456898 1 C -3.279660 1 -1.597447 1 5.794872 1 C -2.466239 1 -0.715701 1 6.446517 1 C -1.478332 1 0.041156 1 5.800909 1 C 1.614768 1 3.502478 1 2.694413 1 C 1.832373 1 4.407188 1 3.733995 1 C 2.500180 1 5.583108 1 3.559698 1 C 2.989137 1 5.907369 1 2.277231 1 C 2.762298 1 5.075129 1 1.260171 1 C 2.078549 1 3.880493 1 1.444321 1 C 3.295982 1 -0.007546 1 1.175125 1 C 4.585164 1 -0.540833 1 0.870497 1 C 4.711868 1 -0.532080 1 -0.594106 1 C 3.289372 1 -0.678077 1 -1.033744 1 C -2.127940 1 2.662695 1 1.198341 1 C -3.357850 1 3.373337 1 0.708634 1 C -3.000572 1 3.762312 1 -0.693277 1 C -1.774136 1 2.958737 1 -1.016906 1 C -3.519176 1 -0.559649 1 0.493608 1 C -4.524587 1 -1.586885 1 0.146067 1 C -3.842729 1 -2.845782 1 0.469163 1 C -2.473533 1 -2.566423 1 0.093188 1 H 0.026712 1 2.125774 1 -4.995131 1 H 1.162588 1 4.227988 1 -4.477733 1 H 2.768920 1 5.875624 1 -4.359563 1 H 4.503652 1 5.695831 1 -2.820431 1 H 4.573757 1 3.881673 1 -1.366281 1 H 2.906185 1 2.261645 1 -1.418562 1 H -1.544967 1 1.023537 1 -6.189854 1 H -3.248856 1 -0.079597 1 -7.340547 1 H -4.696549 1 -1.515327 1 -6.257478 1 H -4.373353 1 -1.984743 1 -4.011947 1 H -2.591815 1 -0.990550 1 -2.822010 1 H 1.010854 1 -5.307133 1 0.099552 1 H 0.916544 1 -1.866116 1 3.208496 1 H 1.292083 1 -2.299692 1 5.476535 1 H 1.660510 1 -4.509862 1 6.184689 1 H 1.550028 1 -6.249448 1 4.665448 1 H 1.088062 1 -5.829209 1 2.413403 1 H -0.329710 1 -2.162245 1 -3.032925 1 H -0.413633 1 -2.755499 1 -5.335785 1 H 0.480931 1 -4.772990 1 -6.060676 1 H 1.508611 1 -6.256350 1 -4.514143 1 H 1.534488 1 -5.695181 1 -2.263912 1 H 0.264777 1 2.188566 1 4.928380 1 H -2.046646 1 -1.203734 1 2.856799 1 H -3.577598 1 -2.541497 1 4.012768 1 H -4.009644 1 -2.014958 1 6.261428 1 H -2.559005 1 -0.621279 1 7.397449 1 H -0.929931 1 0.668819 1 6.275832 1 H 1.468442 1 4.191298 1 4.596819 1 H 2.621100 1 6.160609 1 4.316597 1 H 3.493297 1 6.715572 1 2.160377 1 H 3.035758 1 5.332347 1 0.374558 1 H 1.952589 1 3.270116 1 0.713607 1 H 3.415472 1 0.889658 1 1.495343 1 H 2.867333 1 -0.527178 1 1.859816 1 H 5.300972 1 -0.086098 1 1.320852 1 H 4.606232 1 -1.465277 1 1.131082 1 H 5.049553 1 0.330853 1 -0.850243 1 H 5.287517 1 -1.217201 1 -0.940893 1 H 3.063436 1 -1.609201 1 -1.076566 1 H 3.124186 1 -0.272066 1 -1.889406 1 H -2.388472 1 2.026010 1 1.867075 1 H -1.460458 1 3.246686 1 1.564747 1 H -4.151320 1 2.834231 1 0.736832 1 H -3.498336 1 4.156377 1 1.244523 1 H -3.731539 1 3.560596 1 -1.281839 1 H -2.797139 1 4.698272 1 -0.758042 1 H -0.988425 1 3.511030 1 -1.062875 1 H -1.894709 1 2.530429 1 -1.868126 1 H -3.582000 1 -0.367233 1 1.432026 1 H -3.646709 1 0.253044 1 -0.002393 1 H -5.346984 1 -1.493769 1 0.633461 1 H -4.707028 1 -1.552512 1 -0.796015 1 H -3.891031 1 -2.999223 1 1.415285 1 H -4.205658 1 -3.605313 1 0.008482 1 H -2.345748 1 -2.838909 1 -0.817468 1 H -1.857366 1 -3.053426 1 0.646635 1 0