&CPMD
INTERFACE GMX
MOLECULE CENTER OFF
&END

&DFT
FUNCTIONAL BLYP
GC-CUTOFF
1.0d-6
&END

&SYSTEM
SYMMETRY
0
CELL
  18.0000000    1.0000000    1.0000000    0.0  0.0  0.0
CUTOFF
90
&END

&ATOMS
*H_MT_BLYP.psp KLEINMAN-BYLANDER
  LMAX=S
 2
       -NaNQ        -NaNQ        -NaNQ
       -NaNQ        -NaNQ        -NaNQ
*O_MT_BLYP.psp KLEINMAN-BYLANDER
  LMAX=P
 1
       -NaNQ        -NaNQ        -NaNQ
&END
&EXTELEC
QM-Box
   0.0000000   18.0000000    0.0000000   18.0000000    0.0000000   18.0000000
Bounding-Box
   0.0000000    0.7180959    0.0000000    3.0235616    0.0000000    0.8503767
Step-No 
 74 
LMAX-OF-MMQ-EXPN 
 0 
INTML-UPD-FREQ 
 1 
OUTRL-UPD-FREQ 
 1 
MM-Near
3
1          -0.7860000 0        0           0.9256000    0.7251632        -NaNQ        -NaNQ        -NaNQ
2           0.3930000 0        0           0.8879000    1.4306152        -NaNQ        -NaNQ        -NaNQ
3           0.3930000 0        0           0.8879000    1.4306152        -NaNQ        -NaNQ        -NaNQ
MM-Interm
0
MM-Outer
0
&END