Which of the following statements is correct, based your Gaussian16 calculations of a water molecule usi the 3-21G and 6-31G basis sets: O The 6-31G basis set contains the same number of basis functions and the same number of primitive Gaussian functions as the 3-21G basis set; The 6-31G basis set contains the same number of basis functions but 9 more primitive Gaussian functions than the 3-21G basis set; The 6-31G basis set contains 4 more basis functions than the 3-21G basis set, but the same number of primitive Gaussian functions than the 3-21G basis set; The 6-31G basis set contains 4 more basis functions and 9 more primitive Gaussian functions than the 3- 21G basis set. O O O

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Chapter1: Chemical Foundations
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Which of the following statements is correct, based on
your Gaussian16 calculations of a water molecule using
the 3-21G and 6-31G basis sets:
о The 6-31G basis set contains the same number of
basis functions and the same number of primitive
Gaussian functions as the 3-21G basis set;
The 6-31G basis set contains the same number of
O
O
O
basis functions but 9 more primitive Gaussian
functions than the 3-21G basis set;
The 6-31G basis set contains 4 more basis functions
than the 3-21G basis set, but the same number of
primitive Gaussian functions than the 3-21G basis
set;
The 6-31G basis set contains 4 more basis functions
and 9 more primitive Gaussian functions than the 3-
21G basis set.
Transcribed Image Text:Which of the following statements is correct, based on your Gaussian16 calculations of a water molecule using the 3-21G and 6-31G basis sets: о The 6-31G basis set contains the same number of basis functions and the same number of primitive Gaussian functions as the 3-21G basis set; The 6-31G basis set contains the same number of O O O basis functions but 9 more primitive Gaussian functions than the 3-21G basis set; The 6-31G basis set contains 4 more basis functions than the 3-21G basis set, but the same number of primitive Gaussian functions than the 3-21G basis set; The 6-31G basis set contains 4 more basis functions and 9 more primitive Gaussian functions than the 3- 21G basis set.
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