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root / examples / Siesta / HCN_zmat / Test / Path.16 @ 8

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1 8 pfleura2
 Geometry   1/ 10 for iteration  16 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  16 E=  -423.947194
6 8 pfleura2
     C
7 8 pfleura2
     H    C    1.234345
8 8 pfleura2
     N    C    1.130700    H  144.867372
9 8 pfleura2
 Geometry   3/ 10 for iteration  16 E=  -425.366580
10 8 pfleura2
     C
11 8 pfleura2
     H    C    1.207440
12 8 pfleura2
     N    C    1.110179    H  118.982474
13 8 pfleura2
 Geometry   4/ 10 for iteration  16 E=  -427.851065
14 8 pfleura2
     C
15 8 pfleura2
     H    C    1.225956
16 8 pfleura2
     N    C    1.146741    H   93.823331
17 8 pfleura2
 Geometry   5/ 10 for iteration  16 E=  -430.129061
18 8 pfleura2
     C
19 8 pfleura2
     H    C    1.213642
20 8 pfleura2
     N    C    1.173682    H   74.793818
21 8 pfleura2
 Geometry   6/ 10 for iteration  16 E=  -431.798599
22 8 pfleura2
     C
23 8 pfleura2
     H    C    1.533148
24 8 pfleura2
     N    C    1.191025    H   55.819136
25 8 pfleura2
 Geometry   7/ 10 for iteration  16 E=  -432.519876
26 8 pfleura2
     C
27 8 pfleura2
     H    C    1.823490
28 8 pfleura2
     N    C    1.108478    H   44.316028
29 8 pfleura2
 Geometry   8/ 10 for iteration  16 E=  -433.144569
30 8 pfleura2
     C
31 8 pfleura2
     H    C    2.076022
32 8 pfleura2
     N    C    1.077956    H   30.052193
33 8 pfleura2
 Geometry   9/ 10 for iteration  16 E=  -433.598990
34 8 pfleura2
     C
35 8 pfleura2
     H    C    2.261517
36 8 pfleura2
     N    C    1.079908    H   15.042384
37 8 pfleura2
 Geometry  10/ 10 for iteration  16 E=  -433.770482
38 8 pfleura2
     C
39 8 pfleura2
     H    C    2.340547
40 8 pfleura2
     N    C    1.091681    H    0.012577