In Gaussian optimization i am facing frequently No lower point found error. How to fix this and what is the reason?

opt=calcfc oniom(m062x/6-311++g(d,p):b3lyp/6-31g(d):b3lyp/3-21g*) i am trying to optimize cucurbituril. even in oniom opt, some case it came. but only cucurbit ring not optimized in the same or...

08 February 2025 5,946 2 View