Changed a LJ value to prevent roundoff error from leading to an error
failure
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@ -73,7 +73,7 @@ H2CCCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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H2CCCH 2 252.000 4.760 0.000 0.000 1.000 ! JAM
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H2CN 1 569.000 3.630 0.000 0.000 1.000 ! os/jm
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H2NO 2 116.700 3.492 0.000 0.000 1.000 ! JAM
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H2O 2 572.400 2.605 1.844 0.000 4.000
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H2O 2 572.400 2.6049999 1.844 0.000 4.000
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H2O2 2 107.400 3.458 0.000 0.000 3.800
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HC2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS
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HCCHCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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