basis=atomtype C:cc-pwcvqz H:cc-pVQZ calc=LCCSD(T) mem=49GB #rest=1 localcc=2021 lcorthr=tight core=0 geom=xyz 12 charge = 0 C -0.000000000000 0.000000000000 0.081226392269 C -0.000000000000 0.000000000000 1.416807850460 H -0.000000000000 0.924330273516 1.977542917985 H 0.000000000000 -0.924330273516 1.977542917985 C 0.000000000000 -1.296982369506 -0.691186814488 H 0.000000000000 -1.124232443606 -1.763890965774 H 0.877677039158 -1.894642897261 -0.451113754458 H -0.877677039158 -1.894642897261 -0.451113754458 C -0.000000000000 1.296982369506 -0.691186814488 H -0.000000000000 1.124232443606 -1.763890965774 H -0.877677039158 1.894642897261 -0.451113754458 H 0.877677039158 1.894642897261 -0.451113754458