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What is the Admin password?

Revision 2 as of 2016-09-22 00:58:56

location: Electronic states of IBr+ from IBr as reference

Input: 

$COMPASS
Title
 CH2O+ Molecule test run
Basis
 ano-rcc-vtzp
Geometry
 I  0.0 0.0 0.0
 Br 0.0 0.0 2.4
END geometry
group
c(1)
$END

$XUANYUAN
scalar
heff
3
soint
hsoc
2
$END

$SCF
RHF
charge
0
spin
1
$END

$TRAINT
orbi
hforb
$END

$CCSDSO
MEMMEGA
40000
itriple
0
ifdebug
0
maxTcyc
100
threshT
10
$END

$EOMIPSO
MEMMEGA
40000
nroots
8 0 0 0 0 0 0 0
ifdebug
0
$END