7 peroxycarbonate transition state 6-311+G** C 1.5700 -0.1193 -0.0293 O 0.7203 0.9270 -0.2058 O -1.1175 0.7762 0.2538 O -2.7547 0.1813 -0.1266 H -2.3917 -0.7067 0.0372 O 2.8010 0.2673 0.0840 O 1.1725 -1.3257 -0.0133