15
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La44-/step2_1_La44-.log	Energy: -598782.8252613
C          3.31622       -0.13399        2.11545
H          2.76568       -0.29789        1.18071
H          2.77754       -0.67198        2.90556
C          3.33978        1.36021        2.43917
H          3.89314        1.52367        3.37300
H          3.88284        1.89726        1.65055
C          4.72449       -0.69657        1.98355
H          5.27994       -0.56108        2.91401
H          5.26286       -0.19616        1.17592
C          1.93748        1.94543        2.57478
H          1.40177        1.40474        3.36325
H          1.38788        1.77009        1.64301
S          1.91883        3.74947        2.95731
S          4.64241       -2.48967        1.60845
H          5.96142       -2.71732        1.53699