Structure Structure (op C9-C10-N12-C1

Total energy Total energy (optimized)

3368-12 3368-12 opti -159.809984 785.873383 171.31924
3368-11 3368-11 opti -166.669041 717.570097 171.378651
3368-10 3368-10 opti -173.830609 679.75802 171.40206
3368-9 3368-9 optim 178.926464 658.626861 171.481031
3368-8 3368-8 optim 171.406098 646.482477 172.066833
3368-7 3368-7 optim 164.539096 641.521866 172.620352
3368-22 3368-22 opti -23.9772679 693.424322 172.966157
3368-13 3368-13 opti -153.63153 894.02556 173.008357
3368-21 3368-21 opti -30.5119088 657.90376 173.275228
3368-6 3368-6 optim 158.173205 647.349314 173.509796
3368-5 3368-5 optim 152.3414 703.560372 174.587746
3368-20 3368-20 opti -37.3417513 659.999082 174.593891
3368-23 3368-23 opti -17.481368 913.394216 174.86499
3368-14 3368-14 opti -146.502479 1011.31308 175.287927
3368-4 3368-4 optim 146.711555 1251.849 176.067945
3368-19 3368-19 opti -46.9149615 677.869963 177.022289
3368-3 3368-3 optim 143.365809 5464.01856 177.912828
3368-24 3368-24 opti -8.62475013 1701.24479 178.05387
3368-2 3368-2 optim 145.186387 12520.2767 178.507164
3368-15 3368-15 opti -136.9198 1045.0913 178.98983
3368-25 3368-25 opti 0.43613676 2727.90086 181.18078
3368-18 3368-18 opti -66.550754 722.549838 181.735976
3368-16 3368-16 opti -122.688652 951.169266 182.616541
3368-26 3368-26 opti 7.10022107 4780.81826 185.114517
3368-17 3368-17 opti -94.6705487 815.701086 187.321279
3368-1 3368-1 optim 12.1638187 22844.3001 188.943676