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Structure of PUNCH file

Mikhail Altaisky
altaisky@jinr.ru


Can any body tell me what is written in $VEC group in PUNCH file. I guess these should be coefficients of decomposition of orbitales into a basis. What is in rows and what is in columns?

C           6.0   0.0000000000   0.0000000000   0.0000000000
--- RHF ORBITALS --- GENERATED AT  5:37:52 LT   5-MAY-2011
Plot of electronic density
E(RHF)=      -37.3913665019, E(NUC)=    0.0000000000,    7 ITERS
$VEC
1  1 9.86432973E-01 8.38700939E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
1  2-2.56951124E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
2  1-2.41248915E-01 2.72605967E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
2  2 7.94896689E-01 0.00000000E+00 0.00000000E+00 0.00000000E+00
3  1 0.00000000E+00 0.00000000E+00 5.32463957E-01 0.00000000E+00 0.00000000E+00
3  2 0.00000000E+00 6.10430166E-01 0.00000000E+00 0.00000000E+00
4  1 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.34046696E-01-2.27930815E-01
PUNCH        


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