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root / examples / Siesta / HCN_zmat / Test / Path.11 @ 8

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1 8 pfleura2
 Geometry   1/ 10 for iteration  11 E=  -423.385169
2 8 pfleura2
     C
3 8 pfleura2
     H    C    1.257058
4 8 pfleura2
     N    C    1.155694    H  179.999598
5 8 pfleura2
 Geometry   2/ 10 for iteration  11 E=  -423.942554
6 8 pfleura2
     C
7 8 pfleura2
     H    C    1.245841
8 8 pfleura2
     N    C    1.153903    H  144.846497
9 8 pfleura2
 Geometry   3/ 10 for iteration  11 E=  -425.160107
10 8 pfleura2
     C
11 8 pfleura2
     H    C    1.217642
12 8 pfleura2
     N    C    1.108421    H  121.747447
13 8 pfleura2
 Geometry   4/ 10 for iteration  11 E=  -427.247531
14 8 pfleura2
     C
15 8 pfleura2
     H    C    1.203086
16 8 pfleura2
     N    C    1.122951    H   99.181929
17 8 pfleura2
 Geometry   5/ 10 for iteration  11 E=  -429.542323
18 8 pfleura2
     C
19 8 pfleura2
     H    C    1.200177
20 8 pfleura2
     N    C    1.136467    H   79.845112
21 8 pfleura2
 Geometry   6/ 10 for iteration  11 E=  -431.616968
22 8 pfleura2
     C
23 8 pfleura2
     H    C    1.460415
24 8 pfleura2
     N    C    1.199395    H   58.610680
25 8 pfleura2
 Geometry   7/ 10 for iteration  11 E=  -432.351398
26 8 pfleura2
     C
27 8 pfleura2
     H    C    1.761589
28 8 pfleura2
     N    C    1.137519    H   47.323655
29 8 pfleura2
 Geometry   8/ 10 for iteration  11 E=  -432.967671
30 8 pfleura2
     C
31 8 pfleura2
     H    C    2.002939
32 8 pfleura2
     N    C    1.084580    H   34.505723
33 8 pfleura2
 Geometry   9/ 10 for iteration  11 E=  -433.316669
34 8 pfleura2
     C
35 8 pfleura2
     H    C    2.235270
36 8 pfleura2
     N    C    1.151562    H   19.634621
37 8 pfleura2
 Geometry  10/ 10 for iteration  11 E=  -433.732995
38 8 pfleura2
     C
39 8 pfleura2
     H    C    2.324923
40 8 pfleura2
     N    C    1.089092    H    6.953403