Chimie Théorique » Opt'n Path

 Geometry   1/ 10 for iteration   6 E=  -423.369479

     C

     H    C    1.218537

     N    C    1.153328    H  179.999978

 Geometry   2/ 10 for iteration   6 E=  -423.980825

     C

     H    C    1.232930

     N    C    1.136426    H  143.919147

 Geometry   3/ 10 for iteration   6 E=  -425.243470

     C

     H    C    1.190784

     N    C    1.113840    H  120.524032

 Geometry   4/ 10 for iteration   6 E=  -427.253799

     C

     H    C    1.161054

     N    C    1.118421    H   98.791824

 Geometry   5/ 10 for iteration   6 E=  -429.922966

     C

     H    C    1.213042

     N    C    1.157164    H   76.696224

 Geometry   6/ 10 for iteration   6 E=  -431.703562

     C

     H    C    1.499528

     N    C    1.177835    H   57.725710

 Geometry   7/ 10 for iteration   6 E=  -432.440651

     C

     H    C    1.792999

     N    C    1.120513    H   45.739980

 Geometry   8/ 10 for iteration   6 E=  -432.431867

     C

     H    C    1.912700

     N    C    1.025145    H   31.681629

 Geometry   9/ 10 for iteration   6 E=  -431.949087

     C

     H    C    2.165633

     N    C    1.166091    H   16.469778

 Geometry  10/ 10 for iteration   6 E=  -433.460733

     C

     H    C    2.266561

     N    C    1.100639    H    4.926513