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Here is my input: %nprocshared=8 %mem=2GB # opt freq b3lyp/6-31g(d) counterpoise=2 graphene atop optimization 0 3 0 1 0 1 Pd(Fragment=2) 4.61875610 3.25307744 3.04247012...
07 November 2013 3,878 6 View