ASA FUNCTIONS FROM A 6-311G BASIS SET


PERIODIC TABLE

Click on each atom to see the fitted atomic basis set.

H

 

He

Li

Be

 

B

C

N

O

F

Ne

Na

Mg

Al 

Si

P

S

Cl

Ar

 

 

Text files are composed by fitted basis set information: quadratic error integral function, number of fitted functions, ASA exponents and coefficients. Additionally, each atomic file contains the main Hartree-Fock results computed with ATOMIC 90 program.