PM7 SPARKLE PRECISE NOINTER XYZ T=10D GNORM=0.25 + NOLOG GEO-OK EF SCFCRT=1.D-10 COORDINATION NUMBER = 6 Gd 0.0000000 1 0.0000000 1 0.0000000 1 N 2.4364000 1 0.0000000 1 0.0000000 1 N 0.5398890 1 2.3823920 1 0.0000000 1 N 0.1766930 1 -0.3603580 1 -2.4111251 1 N -0.2799994 1 -2.4158153 1 -0.2317017 1 N -0.3326020 1 0.1642715 1 2.4185163 1 N -2.4170414 1 0.1866013 1 0.2431783 1 C 2.9878730 1 -1.3247279 1 0.0140927 1 C 3.5021272 1 -1.8720126 1 1.1757901 1 C 4.0422509 1 -3.1502251 1 1.1551003 1 C 4.0462945 1 -3.8813484 1 -0.0141231 1 C 3.4988594 1 -3.3522855 1 -1.1452904 1 C 2.9759118 1 -2.0813121 1 -1.1339878 1 C 3.2988168 1 1.0053396 1 -0.0523920 1 C 2.9485481 1 2.3601776 1 -0.1237155 1 C 1.7038839 1 3.0009340 1 -0.1276400 1 C -0.6498706 1 3.1953885 1 0.0656897 1 C -1.3604602 1 3.2415553 1 1.2536106 1 C -2.5362279 1 3.9689281 1 1.3466888 1 C -3.0092859 1 4.6648515 1 0.2593725 1 C -2.3104161 1 4.6344094 1 -0.9057607 1 C -1.1416167 1 3.8988210 1 -1.0256284 1 C 4.7889761 1 0.7228573 1 -0.0700369 1 C 1.7811519 1 4.5127479 1 -0.2766151 1 C 0.4802517 1 0.8655556 1 -3.0983345 1 C -0.5146990 1 1.6345524 1 -3.6856875 1 C -0.1989911 1 2.8324383 1 -4.2890167 1 C 1.0849677 1 3.2928232 1 -4.3121949 1 C 2.0760969 1 2.5375559 1 -3.7311748 1 C 1.7791292 1 1.3268561 1 -3.1368619 1 C 0.0135937 1 -1.4551540 1 -3.1468745 1 C -0.2129955 1 -2.7276827 1 -2.6290852 1 C -0.3324367 1 -3.1837372 1 -1.3065180 1 C -0.4172682 1 -3.0452743 1 1.0568118 1 C -1.5465189 1 -2.8044565 1 1.8247550 1 C -1.6959780 1 -3.3750082 1 3.0730294 1 C -0.7055197 1 -4.1899160 1 3.5814483 1 C 0.4255411 1 -4.4236268 1 2.8449480 1 C 0.5816195 1 -3.8493360 1 1.5910048 1 C 0.1202633 1 -1.3747844 1 -4.6535666 1 C -0.6037198 1 -4.6690914 1 -1.1720513 1 C 0.9129930 1 0.0438845 1 3.1323906 1 C 1.1921296 1 -1.0940898 1 3.8883329 1 C 2.3831212 1 -1.2011517 1 4.5789569 1 C 3.3159292 1 -0.2018335 1 4.5133955 1 C 3.0607582 1 0.9144158 1 3.7436895 1 C 1.8678125 1 1.0342363 1 3.0506439 1 C -1.4254162 1 0.3582674 1 3.1409380 1 C -2.7242505 1 0.4335836 1 2.6268581 1 C -3.1963902 1 0.3679074 1 1.3043025 1 C -3.0357572 1 0.1584013 1 -1.0537177 1 C -3.5063855 1 1.3157581 1 -1.6571997 1 C -4.0518878 1 1.2749751 1 -2.9281795 1 C -4.1174792 1 0.0970498 1 -3.6191392 1 C -3.6507837 1 -1.0666924 1 -3.0322297 1 C -3.1182310 1 -1.0367871 1 -1.7514480 1 C -1.3214047 1 0.5589848 1 4.6419092 1 C -4.6953157 1 0.5278223 1 1.1442950 1 H 3.4867981 1 -1.3851120 1 1.9668235 1 H 4.4012333 1 -3.5136309 1 1.9332112 1 H 4.4210615 1 -4.7313494 1 -0.0306996 1 H 3.4804578 1 -3.8553366 1 -1.9272756 1 H 2.6106881 1 -1.7289108 1 -1.9130597 1 H 3.6737177 1 2.9402683 1 -0.1775286 1 H -1.0447833 1 2.7784134 1 1.9964862 1 H -3.0069201 1 3.9868968 1 2.1482298 1 H -3.7988239 1 5.1518389 1 0.3180526 1 H -2.6216614 1 5.1165422 1 -1.6370817 1 H -0.6867303 1 3.8761795 1 -1.8362416 1 H 5.2705388 1 1.5468389 1 -0.1709125 1 H 4.9948603 1 0.1408247 1 -0.8045367 1 H 5.0452188 1 0.3021063 1 0.7548539 1 H 1.1021735 1 4.9228609 1 0.2632330 1 H 1.6463299 1 4.7498719 1 -1.1961085 1 H 2.6464593 1 4.8168230 1 0.0092623 1 H -1.3979376 1 1.3409093 1 -3.6702540 1 H -0.8736538 1 3.3343746 1 -4.6864789 1 H 1.2859770 1 4.1071879 1 -4.7161335 1 H 2.9546665 1 2.8458118 1 -3.7375781 1 H 2.4606848 1 0.8182924 1 -2.7611135 1 H -0.2965137 1 -3.3941651 1 -3.2727342 1 H -2.2151341 1 -2.2492782 1 1.4936495 1 H -2.4640208 1 -3.2099853 1 3.5706152 1 H -0.8065833 1 -4.5778770 1 4.4205981 1 H 1.0956041 1 -4.9708666 1 3.1880904 1 H 1.3589064 1 -4.0027478 1 1.1053214 1 H 0.9781886 1 -1.0226473 1 -4.8950258 1 H -0.5688384 1 -0.7970317 1 -4.9924791 1 H 0.0154203 1 -2.2516413 1 -5.0282483 1 H -1.3761310 1 -4.8069439 1 -0.6192460 1 H 0.1573993 1 -5.0999078 1 -0.7730618 1 H -0.7624754 1 -5.0458127 1 -2.0415422 1 H 0.5717325 1 -1.7868471 1 3.9281242 1 H 2.5507441 1 -1.9564112 1 5.0949023 1 H 4.1139248 1 -0.2740651 1 4.9823435 1 H 3.6965873 1 1.5905657 1 3.6882758 1 H 1.7076821 1 1.7881582 1 2.5287734 1 H -3.3883874 1 0.5450216 1 3.2678306 1 H -3.4549032 1 2.1242310 1 -1.2049452 1 H -4.3753945 1 2.0540328 1 -3.3163940 1 H -4.4749376 1 0.0767037 1 -4.4775654 1 H -3.6916606 1 -1.8698090 1 -3.4981881 1 H -2.8157576 1 -1.8225944 1 -1.3582366 1 H -2.1451206 1 0.9271584 1 4.9715949 1 H -0.6013229 1 1.1629603 1 4.8341392 1 H -1.1545749 1 -0.2845131 1 5.0677254 1 H -5.0093944 1 -0.0638790 1 0.4580552 1 H -4.8974049 1 1.4362652 1 0.9011014 1 H -5.1299827 1 0.3167400 1 1.9746283 1 0