! Multipole moments for H2OA ! Based on DF-type : ISA-GRID O 0.00000000 0.00000000 0.00000000 Type O Rank 4 -0.840926 0.191954 -0.000000 -0.000000 0.007819 0.000000 0.000000 0.423913 0.000000 -0.087368 -0.000000 0.000000 0.208861 -0.000000 -0.000000 0.000000 -0.235341 -0.000000 0.000000 0.164563 0.000000 0.000000 -0.000000 -0.090598 -0.000000 H1 -1.45365196 0.00000000 -1.12168732 Type H Rank 4 0.420407 0.005397 -0.029959 -0.000000 0.003387 0.005937 0.000000 0.036881 0.000000 0.007698 -0.007759 0.000000 -0.012025 0.000000 -0.015101 0.000000 -0.006338 0.002302 0.000000 -0.011913 -0.000000 -0.026974 -0.000000 -0.030921 -0.000000 H2 1.45365196 0.00000000 -1.12168732 Type H Rank 4 ...same as H1 but rotated... Total molecular moments relative to origin (0,0,0): -0.000113 -0.740382 0.000000 -0.000000 0.072814 0.000000 0.000000 2.187225 0.000000 2.037522 -0.000000 -0.000000 -4.232304 -0.000000 0.000000 -0.000000 -4.619601 0.000000 0.000000 6.071613 0.000000 -0.000000 0.000000 4.131253 0.000000