water H2O

Density data (ISO value 0.2)

PGV [378KB]
WRL [472KB]

Orbital data (ISO value 0.1)

Orbital 1

PGV [75KB]
WRL [93KB]

Orbital 2
PGV [630KB]
WRL [793KB]

Orbital 3
PGV [751KB]
WRL [936KB]

Orbital 4
PGV [702KB]
WRL [873KB]

Orbital 5 (HOMO)
PGV [649KB]
WRL [806KB]

Orbital 6 (LUMO)
PGV [777KB]
WRL [972KB]

Frequency data

PGV Samples / Copyright(C) 1996-1997 CCIMS / mizutani@ims.ac.jp