SCF DONE 1.000000000000000 30.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 30.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 30.0000000000000000 Ti O 2 4 Direct 0.6464566666666656 0.6448333333333309 0.6278799999999976 0.6868766666666630 0.6884999999999977 0.7054533333333310 0.6853766666666701 0.6920033333333322 0.6431533333333306 0.7078133333333341 0.7139733333333353 0.7533000000000030 0.6234800000000007 0.6190766666666647 0.5814200000000014 0.6493600000000015 0.6410499999999999 0.6899299999999968 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00