sfBSE/output/Be/be_adc2_x.inp

22 lines
226 B
Plaintext

$comment
SF-ADC(2)-x
$end
$molecule
0 3
Be 0 0 0
$end
$rem
JOBTYPE = sp
METHOD = ADC(2)-x
BASIS = 6-31G
PURECART = 2222
MEM_TOTAL = 4000
MEM_STATIC = 100
SF_STATES = 10
SPIN_FLIP = TRUE
UNRESTRICTED = TRUE
RPA = FALSE
$end