4 lines
65 B
Plaintext
4 lines
65 B
Plaintext
!TPSS pcSseg-3 autoaux tightscf NMR
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*xyzfile 0 1 orca_opt.xyz
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!TPSS pcSseg-3 autoaux tightscf NMR
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*xyzfile 0 1 orca_opt.xyz
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