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../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La25-/step2_1_La25-.log	Energy: -348934.5531764
S          0.25034        0.23826        0.91464
H         -0.22143       -1.96865        1.82843
H         -0.21191       -1.99791        0.07046
C          0.31801       -1.60577        0.94607
C          1.73329       -2.17368        0.96298
H          2.27899       -1.81319        0.08036
H          2.26859       -1.78741        1.84115
C          1.75890       -3.70128        0.98514
H          1.22008       -4.08380        0.10883
H          1.21279       -4.05854        1.86754
C          3.17810       -4.26117        0.99895
H          3.18032       -5.35519        1.01528
H          3.73318       -3.93796        0.11185
H          3.72669       -3.91148        1.88003