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ÈçÌ⣬ ²Ù×÷·½·¨£ºGAMESS--predict Uv/vis spectrum---DFT--grid based---B3LYP---6-31G---run ºó³öÏÖÏÂÁÐÓï¾ä£¬Ê²Ã´Òâ˼£¿Ð»Ð»£¡ GAMESS Job: Predict UV/Vis Spectrum B3LYP/6-31G error: An error has occurred during the GAMESS calculation. Please see the GAMESS output file for more information: D:\ÎÒµÄÎĵµ\GAMESS Interface\Untitled-1.out |
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