H15NO3 g.s. WATSON A SET ! 4-JAWed Dec 21 18:16:51 2005 20 1692 3 1 0.0000E+00 5.0000E+00 1.0000E+00 1.0000000000 'a' 1 1 0 99 0 1 1 1 0 1 10000 1.301226285316104E+04 1.00000000E+33 /A 20000 1.209692400279491E+04 1.00000000E+33 /B 30000 6.260137182670341E+03 1.00000000E+33 /C 200 -8.901230547956147E-03 1.00000000E+33 /-DJ 1100 4.498037398180109E-03 1.00000000E+33 /-DJK 2000 -7.338466180198607E-03 1.00000000E+33 /-DJ 40100 -3.782611776046824E-03 1.00000000E+33 /-dj 41000 -7.494464417709796E-03 1.00000000E+33 /-dk 300 -8.930910343409808E-10 1.00000000E+33 /PJ 1200 2.759862341974019E-08 1.00000000E+33 /PJK 2100 -1.112540497601942E-07 1.00000000E+33 /PKJ 3000 1.214528018458394E-07 1.00000000E+33 /PK 40200 -8.131380888716474E-11 1.00000000E+33 /pj 41100 1.259848947225016E-09 1.00000000E+33 /pjk 42000 5.178935341963342E-08 1.00000000E+33 /pk 3100 3.489695219663656E-12 1.00000000E+33 /LKKJ 4000 -3.855938091489370E-12 1.00000000E+33 /LK 41200 -4.976066967269718E-13 1.00000000E+33 /ljk 42100 7.987383725805352E-13 1.00000000E+33 /lkj 43000 -1.922017022244589E-13 1.00000000E+33 /lk