TM = 1 Rcr = 5.2000e+00 Rca = 3.5000e+00 EtaR = [1.6000000e+01] ShfR = [9.0000000e-01,1.1687500e+00,1.4375000e+00,1.7062500e+00,1.9750000e+00,2.2437500e+00,2.5125000e+00,2.7812500e+00,3.0500000e+00,3.3187500e+00,3.5875000e+00,3.8562500e+00,4.1250000e+00,4.3937500e+00,4.6625000e+00,4.9312500e+00] Zeta = [3.2000000e+01] ShfZ = [1.9634954e-01,5.8904862e-01,9.8174770e-01,1.3744468e+00,1.7671459e+00,2.1598449e+00,2.5525440e+00,2.9452431e+00] EtaA = [8.0000000e+00] ShfA = [9.0000000e-01,1.5500000e+00,2.2000000e+00,2.8500000e+00] Atyp = [H,C,N,O]
