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root / examples / Siesta / HCN_zmat / Test / Path.24 @ 8

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1 8 pfleura2 
 Geometry   1/ 10 for iteration  24 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  24 E=  -423.978774
6 8 pfleura2 
     C
7 8 pfleura2 
     H    C    1.242486
8 8 pfleura2 
     N    C    1.138889    H  143.953822
9 8 pfleura2 
 Geometry   3/ 10 for iteration  24 E=  -425.333604
10 8 pfleura2 
     C
11 8 pfleura2 
     H    C    1.205646
12 8 pfleura2 
     N    C    1.115585    H  119.399044
13 8 pfleura2 
 Geometry   4/ 10 for iteration  24 E=  -427.578514
14 8 pfleura2 
     C
15 8 pfleura2 
     H    C    1.210157
16 8 pfleura2 
     N    C    1.105604    H   96.327876
17 8 pfleura2 
 Geometry   5/ 10 for iteration  24 E=  -430.042541
18 8 pfleura2 
     C
19 8 pfleura2 
     H    C    1.203952
20 8 pfleura2 
     N    C    1.164676    H   75.388329
21 8 pfleura2 
 Geometry   6/ 10 for iteration  24 E=  -431.777969
22 8 pfleura2 
     C
23 8 pfleura2 
     H    C    1.527154
24 8 pfleura2 
     N    C    1.187472    H   56.470534
25 8 pfleura2 
 Geometry   7/ 10 for iteration  24 E=  -432.514126
26 8 pfleura2 
     C
27 8 pfleura2 
     H    C    1.820656
28 8 pfleura2 
     N    C    1.105116    H   44.442442
29 8 pfleura2 
 Geometry   8/ 10 for iteration  24 E=  -433.143461
30 8 pfleura2 
     C
31 8 pfleura2 
     H    C    2.075666
32 8 pfleura2 
     N    C    1.078679    H   30.088071
33 8 pfleura2 
 Geometry   9/ 10 for iteration  24 E=  -433.601713
34 8 pfleura2 
     C
35 8 pfleura2 
     H    C    2.262178
36 8 pfleura2 
     N    C    1.079465    H   14.904171
37 8 pfleura2 
 Geometry  10/ 10 for iteration  24 E=  -433.770482
38 8 pfleura2 
     C
39 8 pfleura2 
     H    C    2.340698
40 8 pfleura2 
     N    C    1.091893    H   -0.003718