4
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La3001-/step2_1_La3001-.log	Energy: -118757.6446117
O         -1.13739        0.18870       -0.01473
O          1.11079        0.19079        0.00947
C         -0.01276       -0.37943        0.00007
H         -0.01184       -1.48746        0.00540