3  *** Parameters derived by integrating MP2/6-31G* local energy surfaces ***
2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3
6 0 ************ gly-gly
     1                    6.35004E-02       0.000000    
     2                   -6.75985E-03       0.000000    
     3                    5.74750E-01       0.000000    
     4                   -1.66273E-01       0.000000    
     5                   -5.20008E-02       0.000000    
     6                   -3.78163E-02       0.000000    
6 0 ************ gly-ala
     1                   -1.51141E-01       1.98876E-01 
     2                    5.73085E-02      -2.10169E-01 
     3                   -1.07000E-01      -2.48817E-01 
     4                   -2.21418E-02      -2.78610E-03 
     5                   -5.40591E-02      -1.39925E-02 
     6                    2.76914E-02      -3.10091E-02 
2 1 ************ gly-pro  (Fourier & Lorenz terms)
     1                    3.58815E+00      -6.18555E+00
     2                    1.18300E+00       2.10528E+00
     1                    2.35924E+01       2.10291E+00      -1.21241E+00
6 0 ************ ala-gly
     1                   -1.76934E-01      -2.95784E-01 
     2                   -3.94583E-02       7.99768E-02 
     3                   -7.94499E-02       2.08683E-01 
     4                   -4.83252E-02       2.30799E-02 
     5                    1.42841E-02       5.21727E-03 
     6                    2.72334E-02       1.73466E-02 
6 0 ************ ala-ala
     1                    6.29561E-01      -2.76759E-02
     2                   -1.26216E-01      -1.61773E-01
     3                    5.26163E-02      -8.63002E-02
     4                   -7.68292E-03      -6.35089E-03
     5                   -3.91270E-02       1.07593E-03
     6                   -2.51084E-02       1.12922E-02
3 1 ************ ala-pro  (Fourier & Lorenz terms)
     1                    1.25210E-01      -2.84716E+00
     2                   -6.72939E-01       2.44422E+00
     3                    8.80932E-02      -4.46634E-01
     1                    1.31015E+01       4.86642E+00      -2.20587E+00
6 0 ************ pro-gly  (Fourier terms)
     1                    2.51979E-01       3.01934E-01
     2                    2.94487E-02       1.27022E-02
     3                    5.38800E-01      -1.47783E-01
     4                   -1.66948E-01      -2.19797E-01
     5                   -6.26792E-02      -7.01688E-02
     6                   -4.22468E-03       6.02541E-02
3 1 ************ pro-ala  (Fourier & Lorenz terms)
     1                   -1.40045E+00       7.51935E-01
     1                   -1.50963E-01      -3.63903E-01
     1                    2.96388E-01       1.57041E-01
     1                    2.02573E+00       2.44788E+00       5.53214E+00
6 0 ************ pro-pro  (Fourier)
     1                    5.90861E+00       1.06847E+00
     2                    6.74640E-01       7.18596E-01
     3                    6.27177E-01       7.23459E-01
     4                   -4.58126E-01       1.05000E-01
     5                   -1.74840E-01      -6.45266E-02
     6                   -4.17809E-04      -9.28629E-02