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

Table 7. Number of Occupied and Virtual Orbitals in the Active Spaces Constructed Using Cholesky Orbitals and PAOs for Guanine.

system label (Figure 2) n0 nv
1 5 26
4 23 92
7a 33 158
7b 33 158
11 39 245
full space 39 263