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. 2022 Aug 3;18(9):5246–5258. doi: 10.1021/acs.jctc.2c00164

Table 9. Number of Occupied and Virtual Orbitals for Formaldehyde with Increasing Number of Water Molecules with aug-cc-pVTZ100,101 Basis Set.

  aug-cc-pVTZ
system #H2O nO nV
1 13 217
2 18 304
3 23 391
4 28 478
5 33 565
6 38 652