Table 5.

Final Optimized MP2/6–311+G** Geometry of the As(OH)₄⁺••• (H₂O)₄ Complex

at. no.	coordinates (Å)
	x	y	z
8	0.116 474	−0.232 979	−1.745 159
33	0.091 102	−0.300 293	0.053 385
8	1.827 574	0.013 919	0.416 930
8	−0.318 519	1.445 786	0.320 199
8	1.078 973	−0.677 248	3.070 567
1	2.054 603	0.965 401	0.399 040
1	0.759 687	0.406 454	−2.091 186
1	−1.162 387	1.686 531	−0.056 154
1	1.650 130	−0.427 585	2.334 475
1	1.446 043	−1.501 838	3.398 534
8	1.720 623	2.718 907	1.715 555
1	1.875 461	2.182 678	2.499 404
1	0.963 586	2.310 310	1.273 541
8	−1.780 926	−1.340 935	−3.576 903
1	−2.102 781	−2.116 251	−3.098 345
1	−1.112 140	−0.967 704	−2.985 241
8	−2.732 810	−0.811 332	−0.536 807
1	−3.251 479	−0.965 730	0.259 916
1	−3.363 449	−0.722 510	−1.260 633