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 Geometry   1/ 10 for iteration  17 E=  -423.385169
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     C
3
     H    C    1.257058
4
     N    C    1.155694    H  179.999598
5
 Geometry   2/ 10 for iteration  17 E=  -423.976372
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     C
7
     H    C    1.242150
8
     N    C    1.140097    H  144.020609
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 Geometry   3/ 10 for iteration  17 E=  -425.294102
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     C
11
     H    C    1.204888
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     N    C    1.106168    H  119.917635
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 Geometry   4/ 10 for iteration  17 E=  -427.692109
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     C
15
     H    C    1.215410
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     N    C    1.126437    H   95.320214
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 Geometry   5/ 10 for iteration  17 E=  -430.046918
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     C
19
     H    C    1.197722
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     N    C    1.175985    H   75.260905
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 Geometry   6/ 10 for iteration  17 E=  -431.771209
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     C
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     H    C    1.525349
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     N    C    1.182078    H   56.692689
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 Geometry   7/ 10 for iteration  17 E=  -432.515668
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     C
27
     H    C    1.821674
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     N    C    1.111778    H   44.310522
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 Geometry   8/ 10 for iteration  17 E=  -433.145691
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     C
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     H    C    2.076556
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     N    C    1.077916    H   30.025327
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 Geometry   9/ 10 for iteration  17 E=  -433.602218
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     C
35
     H    C    2.262471
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     N    C    1.079696    H   14.883452
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 Geometry  10/ 10 for iteration  17 E=  -433.770482
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     C
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     H    C    2.340698
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     N    C    1.091893    H   -0.003718