ammonia NH3


Orbital data (LUMO, ISO value 0.05)

19.1sec RHF=-55.4492704
19.4sec RHF=-55.8722033
20.1sec RHF=-55.9032453
19.7sec RHF=-56.1060311
22.4sec RHF=-56.1404074
19.7sec RHF=-56.1647828
22.5sec RHF=-56.1940311
20.2sec RHF=-56.1806990
23.0sec RHF=-56.2087994
19.9sec RHF=-56.1798219
21.9sec RHF=-56.2085485
20.0sec RHF=-56.1796865
22.1sec RHF=-56.2084830
19.1sec RHF=-55.4492703

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