18
../calculations/M062X_631+Gdp_SDD_SMD_SAS_Alpha0485/La37-/step2_1_La37-.log	Energy: -397505.0532740
C          0.87795       -0.50491       -0.14877
C          1.38712       -0.05929        1.22214
C          1.41549        1.46838        1.33332
C          0.04363        2.08721        1.04801
C         -0.45798        1.63176       -0.32570
C         -0.49283        0.10471       -0.44329
H          1.75921        1.77110        2.32916
H          0.72474       -0.46414        1.99994
H          2.38652       -0.46735        1.41153
H          1.58961       -0.17757       -0.91955
H          0.82911       -1.59836       -0.20143
H         -0.65740        1.70144        1.80138
H         -1.45283        2.05055       -0.51629
H          0.21477        2.04034       -1.09420
H         -1.22488       -0.29483        0.27224
H         -0.83435       -0.18589       -1.44339
H          2.13703        1.87292        0.60816
S          0.06673        3.92850        1.20429