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1 8 pfleura2
     3
2 8 pfleura2
 Geometry   1/ 10 for iteration   3 E=  -423.209979
3 8 pfleura2
          H      1.13311139      0.00000000      0.00000000
4 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
5 8 pfleura2
          N     -1.15274241      0.00000000      0.00000000
6 8 pfleura2
     3
7 8 pfleura2
 Geometry   2/ 10 for iteration   3 E=  -423.950013
8 8 pfleura2
          H      1.14642895      0.00000000      0.00000000
9 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
10 8 pfleura2
          N     -0.90545801      0.70199624      0.00000000
11 8 pfleura2
     3
12 8 pfleura2
 Geometry   3/ 10 for iteration   3 E=  -425.551796
13 8 pfleura2
          H      1.14294085      0.00000000      0.00000000
14 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
15 8 pfleura2
          N     -0.49323588      1.02103380      0.00000000
16 8 pfleura2
     3
17 8 pfleura2
 Geometry   4/ 10 for iteration   3 E=  -427.806271
18 8 pfleura2
          H      1.14964028      0.00000000      0.00000000
19 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
20 8 pfleura2
          N     -0.07428772      1.13086257      0.00000000
21 8 pfleura2
     3
22 8 pfleura2
 Geometry   5/ 10 for iteration   3 E=  -430.603434
23 8 pfleura2
          H      1.27461856      0.00000000      0.00000000
24 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
25 8 pfleura2
          N      0.38394318      1.11288117      0.00000000
26 8 pfleura2
     3
27 8 pfleura2
 Geometry   6/ 10 for iteration   3 E=  -431.920006
28 8 pfleura2
          H      1.60438696      0.00000000      0.00000000
29 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
30 8 pfleura2
          N      0.66199260      0.95133052      0.00000000
31 8 pfleura2
     3
32 8 pfleura2
 Geometry   7/ 10 for iteration   3 E=  -431.908768
33 8 pfleura2
          H      1.78053247      0.00000000      0.00000000
34 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
35 8 pfleura2
          N      0.86323408      0.72370741      0.00000000
36 8 pfleura2
     3
37 8 pfleura2
 Geometry   8/ 10 for iteration   3 E=  -430.023395
38 8 pfleura2
          H      1.92545359      0.00000000      0.00000000
39 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
40 8 pfleura2
          N      0.99572938      0.47666987      0.00000000
41 8 pfleura2
     3
42 8 pfleura2
 Geometry   9/ 10 for iteration   3 E=  -429.919656
43 8 pfleura2
          H      2.12498899      0.00000000      0.00000000
44 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
45 8 pfleura2
          N      1.12839157      0.23792469      0.00000000
46 8 pfleura2
     3
47 8 pfleura2
 Geometry  10/ 10 for iteration   3 E=  -433.010427
48 8 pfleura2
          H      2.24286626      0.00000000      0.00000000
49 8 pfleura2
          C      0.00000000      0.00000000      0.00000000
50 8 pfleura2
          N      1.11084493      0.00354354      0.00000000