ammonia NH3


Orbital data (HOMO, ISO value 0.05)

19.0sec RHF=-55.4492704
19.3sec RHF=-55.8722033
19.8sec RHF=-55.9032453
19.6sec RHF=-56.1060311
22.4sec RHF=-56.1404074
20.0sec RHF=-56.1647828
23.0sec RHF=-56.1940311
19.7sec RHF=-56.1806990
22.4sec RHF=-56.2087994
19.9sec RHF=-56.1798219
22.0sec RHF=-56.2085485
20.0sec RHF=-56.1796865
22.0sec RHF=-56.2084830
19.1sec RHF=-55.4492703

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