EO2YSZ31%COMP
UNITS eV
MOLECULES 6
O   CORE
NUMMOL    11904
atoms 1
O            16.0000      -2.000
finish
ZR  CORE
NUMMOL    5376
atoms 1
ZR           91.2200       4.000
finish
Y   CORE
NUMMOL     768
atoms 1
Y            88.9059       3.000
finish
O1  CORE
NUMMOL    12096
atoms 1
O            16.0000      -2.000
finish
CE  CORE
NUMMOL    5760
atoms 1
CE          140.1200       4.000
finish
C3  CORE
NUMMOL    383
atoms 1
C3          140.1200       3.000
finish
vdw     5
CE      O       buck    1986.8300   0.3511   20.4000
C3      O       buck    1731.6181   0.3637   14.4326
O       O       buck   22764.3000   0.1490   27.8900
ZR      O       buck     985.8700   0.3760    0.0000
Y       O       buck    1345.1000   0.3491    0.0000
CLOSE