PM7 SPARKLE PRECISE NOINTER XYZ T=10D GNORM=0.25 + NOLOG EF GEO-OK SCFCRT=1.D-10 charge=+3 COORDINATION NUMBER = 10 Ce -0.012302 1 0.028260 1 -0.026665 1 N 2.600798 1 0.028260 1 -0.026665 1 N 1.232784 1 2.374794 1 -0.026665 1 N -1.493001 1 2.195446 1 -0.123295 1 N 0.514928 1 0.769486 1 2.509660 1 N 0.790485 1 -1.822998 1 1.717104 1 N -2.151749 1 -1.063710 1 1.001992 1 N -2.012282 1 -0.577131 1 -1.666541 1 N 0.256410 1 0.656214 1 -2.562798 1 N 0.244726 1 -2.521224 1 -0.859572 1 C 3.277568 1 -1.143098 1 -0.107106 1 H 2.798085 1 -1.920809 1 -0.274784 1 C 4.636650 1 -1.230678 1 0.048838 1 H 5.063577 1 -2.053209 1 -0.026688 1 C 5.360778 1 -0.095619 1 0.317930 1 H 6.279990 1 -0.140723 1 0.446824 1 C 4.702122 1 1.113710 1 0.394669 1 H 5.175465 1 1.896317 1 0.562559 1 C 3.315732 1 1.154795 1 0.214693 1 C 2.572548 1 2.442234 1 0.222473 1 C 3.216009 1 3.660523 1 0.459401 1 H 4.131382 1 3.685710 1 0.624028 1 C 2.477438 1 4.822289 1 0.448663 1 H 2.889622 1 5.639358 1 0.620273 1 C 1.116255 1 4.770427 1 0.181100 1 H 0.609402 1 5.549554 1 0.161039 1 C 0.523805 1 3.530420 1 -0.056418 1 C -0.941158 1 3.424502 1 -0.292945 1 C -1.699135 1 4.543122 1 -0.645611 1 H -1.290441 1 5.367963 1 -0.779317 1 C -3.052765 1 4.410007 1 -0.791869 1 H -3.571119 1 5.145145 1 -1.026071 1 C -3.646683 1 3.181605 1 -0.596931 1 H -4.565804 1 3.073359 1 -0.680068 1 C -2.828651 1 2.115552 1 -0.269492 1 H -3.229455 1 1.285662 1 -0.139716 1 C 0.445932 1 2.054602 1 2.892843 1 H -0.177507 1 2.600461 1 2.470193 1 C 1.237227 1 2.621540 1 3.875390 1 H 1.132806 1 3.515796 1 4.110009 1 C 2.182805 1 1.842469 1 4.499534 1 H 2.767575 1 2.207082 1 5.123439 1 C 2.240005 1 0.494902 1 4.171490 1 H 2.848400 1 -0.064671 1 4.599200 1 C 1.385601 1 -0.019136 1 3.203036 1 C 1.324640 1 -1.468432 1 2.905267 1 C 1.742554 1 -2.416119 1 3.837661 1 H 2.096592 1 -2.150135 1 4.656264 1 C 1.625702 1 -3.749099 1 3.531367 1 H 1.905975 1 -4.395433 1 4.140175 1 C -2.248014 1 -1.231022 1 2.343375 1 H -1.596417 1 -0.850212 1 2.884910 1 C -3.262810 1 -1.937380 1 2.935271 1 H -3.298352 1 -2.017395 1 3.860939 1 C -4.224134 1 -2.525452 1 2.150953 1 H -4.907175 1 -3.024969 1 2.535058 1 C -4.160027 1 -2.363729 1 0.782768 1 H -4.808560 1 -2.742343 1 0.234344 1 C -3.112901 1 -1.622456 1 0.225812 1 C -3.039362 1 -1.365641 1 -1.236488 1 C -0.775842 1 0.535003 1 -3.436672 1 C -1.926445 1 -0.295757 1 -2.990349 1 C -2.836236 1 -0.803959 1 -3.917129 1 C -3.867087 1 -1.617580 1 -3.467168 1 C -3.982070 1 -1.893838 1 -2.123381 1 H -4.677277 1 -2.426740 1 -1.809778 1 H -4.478480 1 -1.975258 1 -4.071496 1 H -2.754738 1 -0.602193 1 -4.821005 1 C -0.761523 1 1.131299 1 -4.699382 1 H -1.493493 1 1.051949 1 -5.267885 1 C 0.344865 1 1.834567 1 -5.090206 1 H 0.369876 1 2.237107 1 -5.927647 1 C 1.421248 1 1.950382 1 -4.237154 1 H 2.186321 1 2.413872 1 -4.488656 1 C 1.325848 1 1.350006 1 -2.994852 1 H 2.051921 1 1.429810 1 -2.418092 1 C -0.085008 1 -2.886853 1 -2.108853 1 H 0.030953 1 -2.262448 1 -2.788517 1 C -0.583059 1 -4.130031 1 -2.454423 1 H -0.778925 1 -4.331814 1 -3.341308 1 C -0.786003 1 -5.063508 1 -1.465455 1 H -1.171580 1 -5.887475 1 -1.656676 1 C -0.398808 1 -4.740738 1 -0.172118 1 H -0.494731 1 -5.362950 1 0.513340 1 C 0.134358 1 -3.485902 1 0.098543 1 C 0.672727 1 -3.137670 1 1.433307 1 C 1.093583 1 -4.124288 1 2.322903 1 H 1.014780 1 -5.024993 1 2.102168 1 0