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root / examples / Siesta / HCN_zmat / Test / Path.25 @ 8

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1 8 pfleura2
 Geometry   1/ 10 for iteration  25 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  25 E=  -423.965914
6 8 pfleura2
     C
7 8 pfleura2
     H    C    1.245921
8 8 pfleura2
     N    C    1.127366    H  144.268249
9 8 pfleura2
 Geometry   3/ 10 for iteration  25 E=  -425.361665
10 8 pfleura2
     C
11 8 pfleura2
     H    C    1.205653
12 8 pfleura2
     N    C    1.117193    H  119.029237
13 8 pfleura2
 Geometry   4/ 10 for iteration  25 E=  -427.640168
14 8 pfleura2
     C
15 8 pfleura2
     H    C    1.214469
16 8 pfleura2
     N    C    1.114533    H   95.802552
17 8 pfleura2
 Geometry   5/ 10 for iteration  25 E=  -430.034834
18 8 pfleura2
     C
19 8 pfleura2
     H    C    1.207408
20 8 pfleura2
     N    C    1.155299    H   75.472343
21 8 pfleura2
 Geometry   6/ 10 for iteration  25 E=  -431.797193
22 8 pfleura2
     C
23 8 pfleura2
     H    C    1.534007
24 8 pfleura2
     N    C    1.189733    H   56.038460
25 8 pfleura2
 Geometry   7/ 10 for iteration  25 E=  -432.521986
26 8 pfleura2
     C
27 8 pfleura2
     H    C    1.824198
28 8 pfleura2
     N    C    1.112712    H   44.162151
29 8 pfleura2
 Geometry   8/ 10 for iteration  25 E=  -433.144561
30 8 pfleura2
     C
31 8 pfleura2
     H    C    2.075919
32 8 pfleura2
     N    C    1.077535    H   30.047672
33 8 pfleura2
 Geometry   9/ 10 for iteration  25 E=  -433.599118
34 8 pfleura2
     C
35 8 pfleura2
     H    C    2.261436
36 8 pfleura2
     N    C    1.079749    H   15.032735
37 8 pfleura2
 Geometry  10/ 10 for iteration  25 E=  -433.770482
38 8 pfleura2
     C
39 8 pfleura2
     H    C    2.340698
40 8 pfleura2
     N    C    1.091893    H   -0.003718