1 3 *** Parameters derived by integrating MP2/6-31G** local energy surfaces ***
2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 0
4 1 -1.02141E+00 -1.21787E+00
5 2 2.66194E-03 1.01052E-02
6 3 1.41880E-02 -1.29145E-02
7 4 -5.54912E-02 -1.54449E-02
8 5 2.72669E-02 4.68748E-02
9 6 7.92569E-03 -3.12502E-02
11 1 9.97046E-02 2.66476E-01
12 2 -1.69687E-02 -4.91316E-02
13 3 2.50219E-01 -6.24989E-02
14 4 -1.52445E-01 -1.24202E-01
15 5 -9.21242E-03 -9.52846E-04
16 6 6.34622E-03 -4.58307E-03
25 1 1.27465E-02 -1.01763E-01
26 2 -8.41985E-03 1.18716E-02
27 3 2.50582E-01 3.30235E-02
28 4 -1.02631E-01 1.46337E-01
29 5 6.63161E-03 8.86275E-03
30 6 -6.81049E-03 8.71641E-03
32 1 -1.14953E+00 1.29720E+00
33 2 -1.08859E-03 -1.20321E-02
34 3 4.04229E-01 2.92750E-01
35 4 -2.41994E-01 5.38295E-02
36 5 4.31804E-02 -6.56306E-02
37 6 4.29080E-02 1.38685E-01
38 7 -6.31286E-02 -2.65338E-02
39 8 1.46743E-02 -3.26658E-03
40 9 -1.33460E-02 3.01470E-02
41 0 -1.11258E-02 -3.15723E-02
42 6 0 ** L-Ala-D-Pro-reg
43 1 -3.67336E+00 1.98471E+00
44 2 -6.26727E-01 -8.14864E-02
45 3 2.43704E-02 -1.02431E+00
46 4 3.16312E-01 1.87132E-01
47 5 2.66420E-01 1.43927E-01
48 6 -2.65977E-01 5.94169E-02
49 6 0 ** L-Ala-D-Ala-reg
50 1 -7.75462E-01 4.16758E-01
51 2 2.23510E-02 6.78839E-02
52 3 2.54868E-01 -8.31567E-02
53 4 -7.10523E-02 -1.74577E-01
54 5 3.33282E-02 3.98392E-02
55 6 1.56054E-04 -1.41661E-02
57 1 5.14830E-03 9.48478E-02
58 2 -8.85552E-02 1.20661E-01
59 3 2.65903E-01 -8.99192E-02
60 4 -6.16552E-02 -6.07952E-02
61 5 2.19209E-02 -3.09487E-02
62 6 -1.58136E-02 -1.74252E-02
64 1 1.05084E+00 -1.83406E-03
65 2 2.56198E-01 3.75825E-02
66 3 2.97224E-01 -6.65886E-03
67 4 -9.30144E-02 2.78499E-02
68 5 2.69127E-02 -2.79813E-03
69 6 -5.69348E-03 -5.76679E-03
71 1 1.97348E+00 3.61809E+00
72 2 3.25172E-01 6.93324E-01
73 3 7.44811E-01 2.28853E-01
74 4 -1.11515E-02 4.21766E-01
75 5 -1.09160E-01 4.09945E-02
76 6 1.08618E-01 6.71048E-03
77 7 1.21785E-02 9.37813E-02
78 8 -2.77282E-02 2.84981E-02
79 9 2.15879E-02 1.85528E-02
80 0 -8.56980E-03 3.92482E-02
81 6 0 ** L-Pro-D-Pro-reg
82 1 -3.40143E+00 -3.68917E+00
83 2 -1.79356E+00 1.27378E+00
84 3 1.52538E+00 1.51128E-01
85 4 -1.16399E-01 -9.80625E-01
86 5 -5.43709E-01 4.32254E-01
87 6 3.39955E-01 1.28204E-01
88 6 0 ** L-Pro-D-Ala-reg
89 1 -7.91570E-01 1.00745E+00
90 2 2.89816E-03 -1.42421E-01
91 3 2.00092E-01 -1.46860E-01
92 4 4.75906E-02 1.23842E-01
93 5 -2.88990E-02 -2.23460E-02
94 6 8.92327E-03 -2.80002E-02
96 1 2.12359E-02 4.05506E-02
97 2 -1.19424E-01 2.91087E-01
98 3 3.81770E-01 -1.11839E-01
99 4 -9.75339E-02 -7.60089E-02
100 5 -5.00214E-02 3.42037E-02
101 6 8.12296E-02 3.98713E-02
102 7 -1.21613E-02 -4.57682E-02
103 8 6.95870E-03 2.28245E-02
104 9 2.02598E-02 -2.00100E-02
105 0 -1.48685E-02 -1.09627E-02
106 10 0 ************ P-A
107 1 1.40539E+00 -7.42879E-01
108 2 9.21075E-02 -1.17205E-01
109 3 4.49479E-01 3.82888E-02
110 4 8.11975E-02 -3.35594E-02
111 5 -9.88964E-03 -4.63759E-02
112 6 8.58396E-02 4.22362E-02
113 7 2.73049E-02 -5.43392E-02
114 8 -4.18620E-03 -1.04889E-02
115 9 1.06804E-02 -7.89066E-03
116 0 -5.01879E-03 -1.20569E-02
117 10 0 ************ P-P
118 1 4.23219E+00 1.42318E+00
119 2 1.24967E+00 -2.32575E-01
120 3 5.38690E-01 -4.25507E-01
121 4 4.01096E-01 -6.42186E-01
122 5 2.52852E-01 -2.32257E-01
123 6 -3.06406E-02 -2.48617E-01
124 7 -1.68086E-02 -1.55069E-01
125 8 -9.68421E-02 -1.80718E-01
126 9 -2.73541E-02 -1.36915E-01
127 0 -6.08829E-02 -6.71426E-02
138 1 1.27465E-02 -1.01763E-01
139 2 -8.41985E-03 1.18716E-02
140 3 2.50582E-01 3.30235E-02
141 4 -1.02631E-01 1.46337E-01
142 5 6.63161E-03 8.86275E-03
143 6 -6.81049E-03 8.71641E-03
144 10 0 ************ G-P
145 1 -1.14953E+00 1.29720E+00
146 2 -1.08859E-03 -1.20321E-02
147 3 4.04229E-01 2.92750E-01
148 4 -2.41994E-01 5.38295E-02
149 5 4.31804E-02 -6.56306E-02
150 6 4.29080E-02 1.38685E-01
151 7 -6.31286E-02 -2.65338E-02
152 8 1.46743E-02 -3.26658E-03
153 9 -1.33460E-02 3.01470E-02
154 0 -1.11258E-02 -3.15723E-02
158 1 5.14830E-03 9.48478E-02
159 2 -8.85552E-02 1.20661E-01
160 3 2.65903E-01 -8.99192E-02
161 4 -6.16552E-02 -6.07952E-02
162 5 2.19209E-02 -3.09487E-02
163 6 -1.58136E-02 -1.74252E-02
165 1 1.05084E+00 -1.83406E-03
166 2 2.56198E-01 3.75825E-02
167 3 2.97224E-01 -6.65886E-03
168 4 -9.30144E-02 2.78499E-02
169 5 2.69127E-02 -2.79813E-03
170 6 -5.69348E-03 -5.76679E-03
171 10 0 ************ A-P
172 1 1.97348E+00 3.61809E+00
173 2 3.25172E-01 6.93324E-01
174 3 7.44811E-01 2.28853E-01
175 4 -1.11515E-02 4.21766E-01
176 5 -1.09160E-01 4.09945E-02
177 6 1.08618E-01 6.71048E-03
178 7 1.21785E-02 9.37813E-02
179 8 -2.77282E-02 2.84981E-02
180 9 2.15879E-02 1.85528E-02
181 0 -8.56980E-03 3.92482E-02
184 10 0 ************ P-G
185 1 2.12359E-02 4.05506E-02
186 2 -1.19424E-01 2.91087E-01
187 3 3.81770E-01 -1.11839E-01
188 4 -9.75339E-02 -7.60089E-02
189 5 -5.00214E-02 3.42037E-02
190 6 8.12296E-02 3.98713E-02
191 7 -1.21613E-02 -4.57682E-02
192 8 6.95870E-03 2.28245E-02
193 9 2.02598E-02 -2.00100E-02
194 0 -1.48685E-02 -1.09627E-02
195 10 0 ************ P-A
196 1 1.40539E+00 -7.42879E-01
197 2 9.21075E-02 -1.17205E-01
198 3 4.49479E-01 3.82888E-02
199 4 8.11975E-02 -3.35594E-02
200 5 -9.88964E-03 -4.63759E-02
201 6 8.58396E-02 4.22362E-02
202 7 2.73049E-02 -5.43392E-02
203 8 -4.18620E-03 -1.04889E-02
204 9 1.06804E-02 -7.89066E-03
205 0 -5.01879E-03 -1.20569E-02
206 10 0 ************ P-P
207 1 4.23219E+00 1.42318E+00
208 2 1.24967E+00 -2.32575E-01
209 3 5.38690E-01 -4.25507E-01
210 4 4.01096E-01 -6.42186E-01
211 5 2.52852E-01 -2.32257E-01
212 6 -3.06406E-02 -2.48617E-01
213 7 -1.68086E-02 -1.55069E-01
214 8 -9.68421E-02 -1.80718E-01
215 9 -2.73541E-02 -1.36915E-01
216 0 -6.08829E-02 -6.71426E-02