24
0 of /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/beta-glucose_PJ_HS_JL/tsca_xyz/4C1.xyz zpe= -687.206614 src= /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/beta-glucose_PJ_HS_JL/join.xyz moment= 2.456259 0.769039 -0.157111 2.246312 2.643319 1.092171 -0.219608 3.075873 4.009078 1.798768 -0.268667 2.252329 3.785754 1.756316 -0.192041 2.099292 top= 4C1
O 2.084046 -1.849191 -0.035564
O  -0.655200 -2.658021 -0.314273
O  -2.523123 -0.743036 0.697872
O  -1.834409 1.967055 0.097798
O  1.430342 0.336396 0.155499
O  1.316074 2.531950 1.873161
C  1.081986 -0.936245 -0.370611
C  -0.219614 -1.429925 0.258818
C  -1.319397 -0.405229 0.015581
C  -0.895228 0.977779 0.500449
C  0.460802 1.366387 -0.103180
C  1.039621 2.648410 0.485416
H  2.901738 -1.597967 -0.479333
H  0.012506 -3.329134 -0.133444
H  -2.784937 -1.627836 0.417807
H  -2.699216 1.694611 0.425972
H  1.917867 1.787040 1.985875
H  0.969254 -0.856721 -1.464207
H  -0.048881 -1.542672 1.336933
H  -1.512299 -0.352432 -1.066119
H  -0.803962 0.959677 1.593127
H  0.337032 1.501342 -1.188192
H  1.946298 2.912574 -0.074014
H  0.312064 3.452442 0.372636
