Question: Write down the distance matrix for H2O using the experimental geometry in Table 15.2. Take oxygen as atom 1. Basis Set STO-3G, 7 3-21G. 13

Write down the distance matrix for H2O using the experimental geometry in Table 15.2. Take oxygen as atom 1.

Basis Set STO-3G, 7 3-21G. 13 Minimal STO, 7 6-31G, 19 6-31G,25 cc-pVDZ, 24 Rom/A Reference CCCBDEB CCCBDB Pitzer, Merrifield CCCBDB CCCBDB CCCBDE K. S. Kim et al CCCBDE CCCBDE Dunning et al. Rosenberg et al CCCBDE CCCBDB Amos K. S. Kim et al 38p4d2f/8s4p2376.0676 Bakken et al Bakken et al. Cortez et al Energy/Ehp/D 74.966 71000 0.989 -75.586 .9 07.7 0967 1.92 100.3 0.990 -76.011 2.20 105.50 0.947 76.024 2.15106.0 0.943 76.027 .04 104.6 0.946 106.3 0.940 76.058 .99 106.00.941 76.06 93 6. 0.941 [6s5p2d/3slpl. 43-76.062 2.08 106.6 0.941 (5s4p2d/3slpsTo, 39 76.064 2.00 0.1 0.940 cc-pVQZ, 11576.0655 97 106.2 0.940 aug-cc-pVQZ, 172 -76.0667 94 1063 0.940 06.3 0.940 106.30.940 cc-pV5Z, 20-76.0678 96 06.33 0.9396 63+G(22p4776.057 2.02 cc-pVTZ, 58 aug-cc-pVTZ, 92 [8s6p4d2f/6s3pld 12 76.0675 194 aug-cc-pV5Z, 287 76.0680 94 6.340.9396 cc-pV6Z, 322-76.06810.95 06.34 0.9396 aug-cc-pV6Z, 443 -76.06815 .94 106.34 0.9396 Pahl, Handy Estimated Hartree-Fock ener Nonrelativistic fixed-nuclei energy Experimental values special 106.340.9396 76.06817 -76.068 -76.438 76.480 85 104.5 0.9578

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