File: cscsr.mop

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mopac 22.0.6%2Bdfsg-1
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*  -156.804
*
 SINGLET DELTA=0.2 NOANCI RELSCF=0.1 OPEN(2,8) PM7
Cesium, dimer
 <Cs-Cs> GR=JANAF86
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cs     4.64600000 +1    0.0000000 +0    0.0000000 +0     1     0     0