#R MRCI+Q+F12 : De=.6654 H 1.0 -4.4301 1.2 -5.1506 1.4 -5.4917 1.6 -5.6321 1.8 -5.6654 2.0 -5.6410 2.4 -5.5187 2.8 -5.3753 3.2 -5.2500 3.6 -5.1553 100.0 -5.0000