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. 2023 Oct 31;127(44):9346–9356. doi: 10.1021/acs.jpca.3c04363

Table 2. cc-pVTZ Exponents and Coefficients39,41 of Two s Functions on C.

  Coefficient
  cc-pVTZ
rec-cc-pVTZ
 
Primitive Exponent v1 v2 u1 u2
1 8236. +0.000531 –0.000113 +0.000529 +0.000133
2 1235. +0.004108 –0.000878 +0.004094 +0.001026
3 280.8 +0.021087 –0.004540 +0.021012 +0.005238
4 79.27 +0.081853 –0.018133 +0.081555 +0.019875
5 25.59 +0.234817 –0.055760 +0.233901 +0.053661
6 8.997 +0.434401 –0.126895 +0.432330 +0.077970
7 3.319 +0.346129 –0.170352 +0.343379 0
8 0.9059 +0.039378 +0.140382 +0.041603 +0.143342
9 0.3643 –0.008983 +0.598684 +0.000529 +0.533186
10 0.1285 +0.002385 +0.395389 +0.008666 +0.355805