PM7 SPARKLE PRECISE XYZ EF T=10D GNORM=0.25 + GEO-OK SCFCRT=1.D-10 CHARGE=3.0 COORDINATION NUMBER = 9 Pm -0.000016 1 -0.000005 1 -0.000010 1 O 0.000023 1 2.216623 1 -1.042645 1 O -1.791907 1 1.437380 1 0.871505 1 O 0.000025 1 -0.205182 1 2.440972 1 O 0.000031 1 -2.011304 1 -1.398265 1 O -1.791825 1 -1.473521 1 0.809089 1 O -1.791903 1 0.036087 1 -1.680580 1 O 1.791924 1 1.437422 1 0.871448 1 O 1.791851 1 -1.473483 1 0.809154 1 O 1.791929 1 0.036026 1 -1.680579 1 H -0.776305 1 2.684470 1 -1.412084 1 H -1.618841 1 2.325158 1 1.248476 1 H -2.562491 1 1.097725 1 1.372048 1 H 0.776524 1 2.684843 1 -1.411245 1 H -0.776302 1 -0.119305 1 3.030880 1 H 0.776531 1 -0.120247 1 3.030781 1 H -0.776297 1 -2.565058 1 -1.618993 1 H 0.776537 1 -2.564508 1 -1.619743 1 H -1.618701 1 -2.243909 1 1.389383 1 H -2.562430 1 -1.737172 1 0.264695 1 H -1.618894 1 -0.081181 1 -2.637934 1 H -2.562604 1 0.639235 1 -1.636559 1 H 1.618618 1 2.324929 1 1.248951 1 H 2.562438 1 1.097603 1 1.371986 1 H 1.618490 1 -2.244208 1 1.388932 1 H 2.562394 1 -1.737030 1 0.264623 1 H 1.618689 1 -0.080643 1 -2.637966 1 H 2.562563 1 0.639247 1 -1.636403 1 0