24
0 of /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/alpha-glucose_PJ_HS_JL/tsca_xyz/4C1.xyz zpe= -687.207391 src= /lustre/lwork/pjhsu/mono_saccharides/no_sodiated/alpha-glucose_PJ_HS_JL/join.xyz moment= 2.429632 0.733436 -0.269165 2.614922 2.612062 1.030254 -0.487407 3.114010 3.849930 1.678723 -0.317503 2.414627 3.827893 1.706452 -0.353107 2.274925 top= 4C1
O 1.995568 2.019393 -0.248073
O  -2.672561 0.657139 -0.389537
C  2.710548 -0.731376 0.606973
O  2.599334 -0.766718 2.022815
O  0.408492 -1.221107 0.357011
O  -0.732995 2.760250 0.141666
C  -0.894255 -1.006668 -0.130609
C  -1.390569 0.411614 0.177061
C  -0.369120 1.450881 -0.288444
C  1.008041 1.147169 0.288886
C  1.422231 -0.281925 -0.071591
H  0.967633 1.244590 1.381096
H  1.550504 -0.348798 -1.158282
H  1.695331 2.922995 -0.095749
H  -1.640714 2.923792 -0.140851
H  -2.655299 0.311951 -1.292208
H  2.991036 -1.716383 0.212311
H  3.502384 -0.020986 0.368808
H  -1.515536 0.504191 1.258729
H  -0.300079 1.425582 -1.384703
H  1.877389 -1.367562 2.239191
H  -1.513281 -1.751217 0.377241
O  -0.983222 -1.166590 -1.538366
H  -0.858655 -2.095739 -1.759621
