ORCA Job: ammineborane-tpssh Basis set information needed for plotting orbitals --------------------------------------------------------------------------- 8 46 76 1 --------------------------------------------------------------------------- 7 -0.655752 -2.514129 -0.000000 5 -1.208102 -0.952630 -0.000000 1 -0.758415 -0.466369 1.012763 1 -0.758386 -0.466359 -1.012745 1 -2.413880 -1.052214 -0.000017 1 -0.981374 -3.017189 0.822360 1 -0.981448 -3.017214 -0.822316 1 0.361538 -2.542166 -0.000045 --------------------------------------------------------------------------- 1 1 1 6 1 1 1 7 2 1 1 1 9 1 1 1 1 10 1 1 1 1 11 1 1 1 3 12 4 103 101 102 1 3 16 1 103 101 102 1 3 17 1 103 101 102 1 5 18 1 255 252 253 254 251 1 5 19 1 255 252 253 254 251 1 7 20 1 351 352 353 354 355 356 357 2 1 21 6 1 2 1 27 2 1 2 1 29 1 1 2 1 30 1 1 2 1 31 1 1 2 3 32 4 103 101 102 2 3 36 1 103 101 102 2 3 37 1 103 101 102 2 5 38 1 255 252 253 254 251 2 5 39 1 255 252 253 254 251 2 7 40 1 351 352 353 354 355 356 357 3 1 41 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