PM7 SPARKLE PRECISE NOINTER XYZ T=10D GNORM=0.25 + NOLOG GEO-OK EF SCFCRT=1.D-10 CHARGE=3.0 COORDINATION NUMBER = 8 Eu 0.0000000 1 0.0000000 1 0.0000000 1 N 2.7121000 1 0.0000000 1 0.0000000 1 N -2.7242232 1 0.0560607 1 0.0000000 1 N 1.1281773 1 2.2047330 1 0.3665806 1 N 1.1086531 1 -0.8209982 1 -2.0793921 1 N 1.1190595 1 -1.4553303 1 1.7082971 1 N -1.1228355 1 0.9598854 1 2.0167698 1 N -1.1101008 1 1.2748947 1 -1.8468442 1 N -1.1314896 1 -2.2009255 1 -0.1364575 1 N 2.5589735 1 3.3280115 1 1.6347975 1 H 3.2814460 1 3.5054939 1 2.1037089 1 N 2.5749520 1 -0.3652840 1 -3.6895076 1 H 3.3077684 1 -0.0697762 1 -4.0789175 1 N 2.6939368 1 -2.9398534 1 2.2378082 1 H 3.4663142 1 -3.3617305 1 2.2234890 1 N -2.4577153 1 2.6356084 1 2.6679727 1 H -3.1571599 1 3.1689094 1 2.6922869 1 N -2.4400957 1 0.9667345 1 -3.6061720 1 H -3.1491019 1 0.7338854 1 -4.0723432 1 N -2.6766851 1 -3.5812183 1 0.6660400 1 H -3.4319398 1 -3.8514846 1 1.0296043 1 C 3.1977175 1 1.0082795 1 0.9783815 1 H 3.2197292 1 0.6083009 1 1.8847012 1 H 4.1186275 1 1.2863795 1 0.7411692 1 C 2.3054980 1 2.1948270 1 0.9798295 1 C 0.5945937 1 3.4737794 1 0.6324643 1 C -0.5903043 1 4.0617040 1 0.2092303 1 H -1.1848168 1 3.6044054 1 -0.3726660 1 C -0.8755778 1 5.3375345 1 0.6671108 1 H -1.6889553 1 5.7569897 1 0.4099828 1 C 0.0228536 1 6.0181131 1 1.5051168 1 H -0.1951406 1 6.8947361 1 1.7992436 1 C 1.1998187 1 5.4627603 1 1.9095426 1 H 1.7989642 1 5.9306116 1 2.4779795 1 C 1.4885613 1 4.1729513 1 1.4505543 1 C 3.1915616 1 0.3430505 1 -1.3627413 1 H 4.1184703 1 0.0207398 1 -1.4863332 1 H 3.1839122 1 1.3251340 1 -1.4874553 1 C 2.2912562 1 -0.3031217 1 -2.3707785 1 C 0.5796839 1 -1.2494085 1 -3.3084898 1 C -0.6263002 1 -1.8613537 1 -3.6236649 1 H -1.2540409 1 -2.0846106 1 -2.9471678 1 C -0.8841520 1 -2.1299090 1 -4.9487564 1 H -1.7121774 1 -2.5277480 1 -5.1939474 1 C 0.0438956 1 -1.8337433 1 -5.9322704 1 H -0.1688488 1 -2.0412900 1 -6.8318431 1 C 1.2708135 1 -1.2455807 1 -5.6553779 1 H 1.9047448 1 -1.0462853 1 -6.3355420 1 C 1.5061666 1 -0.9709000 1 -4.3186968 1 C 3.2005462 1 -1.3508825 1 0.3823860 1 H 3.1800122 1 -1.9498147 1 -0.4044922 1 H 4.1330515 1 -1.2918592 1 0.7053101 1 C 2.3372316 1 -1.8943050 1 1.4442511 1 C 1.6340276 1 -3.2243082 1 3.0736899 1 C 1.4244246 1 -4.2047172 1 4.0330118 1 H 2.0971959 1 -4.8395948 1 4.2480451 1 C 0.1993990 1 -4.2103149 1 4.6552311 1 H 0.0210761 1 -4.8721570 1 5.3151692 1 C -0.7944810 1 -3.2690357 1 4.3476520 1 H -1.6263698 1 -3.3055226 1 4.8062043 1 C -0.5865880 1 -2.2888627 1 3.3929283 1 H -1.2550692 1 -1.6440683 1 3.1961205 1 C 0.6429888 1 -2.2856304 1 2.7295891 1 C -3.1916330 1 1.2846647 1 0.6741479 1 H -4.1108559 1 1.1476266 1 1.0201518 1 H -3.2123143 1 2.0356321 1 0.0303058 1 C -2.2613671 1 1.6130796 1 1.8137960 1 C -0.5193775 1 1.6258643 1 3.1099768 1 C 0.6915501 1 1.3942295 1 3.7501927 1 H 1.2372179 1 0.6501298 1 3.5242231 1 C 1.0707758 1 2.3058703 1 4.7338079 1 H 1.9070671 1 2.2002509 1 5.1710739 1 C 0.2319985 1 3.3807403 1 5.0869335 1 H 0.5148629 1 3.9787932 1 5.7688502 1 C -0.9797997 1 3.5912375 1 4.4780676 1 H -1.5386297 1 4.3207016 1 4.7167125 1 C -1.3439441 1 2.6924353 1 3.5085228 1 C -3.2154918 1 0.0252389 1 -1.4069803 1 H -4.1133233 1 0.4410835 1 -1.4585217 1 H -3.2901791 1 -0.9132616 1 -1.7147608 1 C -2.2612924 1 0.7726955 1 -2.2801243 1 C -1.3083623 1 1.6011686 1 -4.1018696 1 C -0.9364419 1 1.9715986 1 -5.3917501 1 H -1.5022990 1 1.8200551 1 -6.1390054 1 C 0.2977764 1 2.5763203 1 -5.5213541 1 H 0.6095264 1 2.8139608 1 -6.3869285 1 C 1.0979709 1 2.8403443 1 -4.4107260 1 H 1.9301912 1 3.2807779 1 -4.5391692 1 C 0.7220400 1 2.4868890 1 -3.1267292 1 H 1.2704333 1 2.6846233 1 -2.3767452 1 C -0.4960461 1 1.8236713 1 -2.9865700 1 C -3.2021453 1 -1.1399657 1 0.7347158 1 H -4.1413048 1 -1.3346963 1 0.4846422 1 H -3.1707134 1 -0.9707752 1 1.7104572 1 C -2.3352342 1 -2.3112597 1 0.3978193 1 C -0.6622016 1 -3.5227807 1 -0.2343596 1 C 0.5370290 1 -4.0258314 1 -0.7589845 1 H 1.2003728 1 -3.4480334 1 -1.1168317 1 C 0.7224269 1 -5.3971466 1 -0.7349416 1 H 1.5293968 1 -5.7658406 1 -1.0795975 1 C -0.2456683 1 -6.2472123 1 -0.2206421 1 H -0.0799640 1 -7.1844621 1 -0.2153355 1 C -1.4347048 1 -5.7753382 1 0.2818541 1 H -2.0976744 1 -6.3645467 1 0.6227130 1 C -1.6257801 1 -4.3881713 1 0.2665345 1 0