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