Begin Multipoles DF Type ISA Rank 4 End Finished reading in the DIST_MOM block Now for the calculations... Total moments are computed w.r.t. the origin: Origin : ( 0.0000, 0.0000, 0.0000) BOHR ! Multipole moments for CH4 ! Based on DF-type : ISA C 0.00000000 0.00000000 0.00000000 Type C Rank 4 -0.408856 -0.000202 -0.000002 -0.000377 0.000484 0.000001 -0.000088 0.000685 -0.000001 0.104779 0.000001 0.088809 -0.082229 -0.000009 0.000004 0.116277 0.185492 -0.000001 0.541383 0.277448 0.000000 0.000000 -0.614966 0.362808 -0.000001 H1 0.00000000 2.07703578 0.00000000 Type H Rank 4 0.102417 -0.000061 0.000000 0.032680 0.008683 0.000000 0.000019 0.015003 0.000000 0.053924 0.000000 -0.106577 -0.041788 0.000000 0.000000 -0.137930 -0.082778 0.000000 -0.007186 -0.124064 0.000000 0.000000 0.008499 -0.164256 0.000000 H2 1.69589261 -0.69234525 0.97912406 Type H Rank 4 0.102242 0.015402 0.026780 -0.010907 0.002756 -0.011373 0.004695 -0.008331 0.008084 -0.057979 0.014050 0.041069 0.085522 -0.124501 0.054163 -0.064681 0.050136 0.095833 -0.046389 -0.041190 0.036058 -0.058609 0.143130 -0.006748 0.097550 H3 -1.69589261 -0.69234525 0.97912406 Type H Rank 4 0.102240 0.015403 -0.026782 -0.010908 0.002755 0.011372 0.004695 -0.008330 -0.008083 -0.057979 -0.014050 0.041069 0.085522 0.124501 -0.054163 -0.064681 0.050135 -0.095833 -0.046389 -0.041190 -0.036058 0.058608 0.143130 -0.006748 -0.097549 H4 0.00000000 -0.69234525 -1.95824810 Type H Rank 4 0.101957 -0.031109 0.000000 -0.011077 -0.013928 0.000000 -0.009349 0.001323 0.000000 -0.115731 0.000000 -0.129307 0.008402 0.000000 0.000000 0.067636 -0.110065 0.000000 -0.180647 0.066106 0.000000 0.000000 0.024363 -0.007363 0.000000 Total molecular moments relative to origin (0,0,0): 0.000000 -0.000013 0.000000 -0.000027 0.000028 -0.000001 0.000028 0.000129 0.000000 -2.013708 0.000000 -1.743219 1.559151 0.000004 -0.000002 -2.248759 1.922123 0.000025 5.736316 2.865968 0.000010 -0.000015 -6.497700 3.793214 0.000026 End of distributed moment module