Table 3: Perturbatively computed fundamentals of l-SiCCC. All values are in cm-1.
  CASSCF/cc-pVDZa CASSCF/cc-pVTZb
$\nu_1 (\sigma)$ 2034 2024
$\nu_2 (\sigma)$ 1344 1352
$\nu_3 (\sigma)$ 601 611
$\nu_4 (\pi)$ 422 434
$\nu_5 (\pi)$ 160 169
a Derived from our 6D-PESs;
b Estimations. See text for more details.


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