Write down the distance matrix for H2O using the experimental geometry in Table 15.2. Take oxygen as
Question:
Transcribed Image Text:
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 θ 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
Fantastic news! We've Found the answer you've been seeking!
Step by Step Answer:
Answer rating: 77% (9 reviews)
The HH distance R HH is found f...View the full answer
Answered By
Salmon ouma
I am a graduate of Maseno University, I graduated with a second class honors upper division in Business administration. I have assisted many students with their academic work during my years of tutoring. That has helped me build my experience as an academic writer. I am happy to tell you that many students have benefited from my work as a writer since my work is perfect, precise, and always submitted in due time. I am able to work under very minimal or no supervision at all and be able to beat deadlines.
I have high knowledge of essay writing skills. I am also well conversant with formatting styles such as Harvard, APA, MLA, and Chicago. All that combined with my knowledge in methods of data analysis such as regression analysis, hypothesis analysis, inductive approach, and deductive approach have enabled me to assist several college and university students across the world with their academic work such as essays, thesis writing, term paper, research project, and dissertation. I have managed to help students get their work done in good time due to my dedication to writing.
5.00+
4+ Reviews
16+ Question Solved
Related Book For
Question Posted:
Students also viewed these Mechanics questions
-
Write down the l = 2 portion of the matrix representative of in the basis.
-
The AM1 valence electronic energies of the atoms H and O are - 11.396 eV and -316.100 eV, respectively. For H2O at its AM1-calculated equilibrium geometry, the AM1 valence electronic energy...
-
Benzyne has long been implicated as an intermediate in nucleophilic aromatic substitution; for example, Although the geometry of benzyne has yet to be conclusively established, the results of a 13 C...
-
Create a class called Car that includes three instance variablesa model (type String), a year (type String), and a price (double). Provide a constructor that initializes the three instance variables....
-
Two routes are under consideration for a new interstate highway. The long intervalley route would be 25 kilometers in length and would have an initial cost of $25 million. The short transmountain...
-
Which federal law requires that schoolteachers and camp counselors undergo certain background checks before being hired? A. Americans with Disabilities Act B. Privacy Act C. National Child Protection...
-
3. After these investments were made, Pop was able to exercise control over the operations of both companies. An analysis of the retained earnings of each company for 2016 is as follows: Pop Son Sam...
-
Watson Waterbed Works Inc. has an EBIT of $2.75 million, can borrow at 15% interest, and pays combined state and federal income taxes of 40%. It currently has no debt and is capitalized by equity of...
-
5. A bond pays interest annually, has a par value of $1,000, a coupon rate of 5% and 10 years until it matures. Assuming a market rate of 5%, what is the value of the bond ? In year 5, if the market...
-
What is the solution of the recursive equation T (n) = 0.015625T +n?? (1/4) a) O(n') b) O(n' lg n) c) O(n* Ign) d) O(7*)
-
For the function U = 3x2 + 6y2, (a) Locate the minimum by inspection; (b) Start at the point x = 9, y = 9 and apply the conjugate-gradient method to locate the minimum. Do the calculations by hand....
-
True or false? (a) All triatomic molecules are planar. (b) The distance matrix is a symmetric matrix. (c) The diagonal elements of the distance matrix are zero. (d) The Hessian is a symmetric matrix.
-
The prevailing winds on the Hawaiian island of Kauai blow from the northeast. The winds cool as they go up the slope of Mt. Waialeale (elevation 1523 m), causing water vapor to condense and rain to...
-
Based on the expense information below how do I figure out the break even, total fixed costs, total income for each procedure, variable costs dependent upon volume? The organization is purchasing a...
-
Compare training formats. Do you personally prefer classroom training, small group sessions, one-to-one training, or self-guided tutorials? Why? Are there circumstances in which you feel a one-to-one...
-
what ways do you feel a sense of identity and belonging within the organization's community, and how does that influence your performance and engagement?
-
How do different generational cohorts within the workforce perceive and contribute to organizational culture, and what steps can organizations take to create a cohesive culture that bridges...
-
How do various tools and techniques such as adding slack (padding estimates) or project buffers help project managers perform duration estimates? What are some ethical considerations when using slack...
-
While an atoms mass number and its atomic mass are not the same, they are often quite close to one another. Consider the following: Uranium-235 has an atomic mass of 235.043 93 amu and a percent...
-
An access route is being constructed across a field (Figure Q8). Apart from a relatively firm strip of ground alongside the field's longer side AB, the ground is generally marshy. The route can...
-
Studies of the relationship of the Sun to its galaxythe Milky Wayhave revealed that the Sun is located near the outer edge of the galactic disk, about 30 000 light-years from the center. The Sun has...
-
The oldest artificial satellite in orbit is Vanguard I, launched March 3, 1958. Its mass is 1.60 kg. In its initial orbit, its minimum distance from the center of the Earth was 7.02 Mm, and its speed...
-
Astronomers detect a distant meteoroid moving along a straight line that, if extended, would pass at a distance 3RE from the center of the Earth, where RE is the radius of the Earth. What minimum...
-
A company is evaluating a new 4-year project. The equipment necessary for the project will cost $3,300,000 and can be sold for $650,000 at the end of the project. The asset is in the 5-year MACRS...
-
You have just been hired as a new management trainee by Earrings Unlimited, a distributor of earrings to various retail outlets located in shopping malls across the country. In the past, the company...
-
I need to see where the calculations for this problem come from plz. 5. Award: 4.00 points Lucido Products markets two computer games: Claimjumper and Makeover. A contribution format income statement...
Study smarter with the SolutionInn App