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* $Revision: 7.8 $
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* Molecule: C2H4O (acetaldehyde)
* Basis: cc-pvtz
* Symmetry: Cs
* Features tested: SEW(PCM),SCF
* Responsible person: B. O. Roos 041227
* Comments: Test of the PCM model
*-------------------------------------------------------------------------------
 &SEWARD &END
Title
acetaldehyde
Basis set
H.ANO-S...2s.
H1               0.0151760290        0.0000088544       -2.9110013387
H2              -2.0873396672        0.0000037621        2.5902220967
H3              -3.4601725077       -1.6628370597        0.0320271859
H4              -3.4601679801        1.6628382651        0.0320205364
End of basis
Basis set
C.ANO-S...3s2p.
C5               0.1727682300       -0.0000045651       -0.8301598059
C6              -2.3763311896        0.0000001634        0.5600567139
End of basis
Basis set
O.ANO-S...3s2p.
O                2.2198078005        0.0000024315        0.2188182082
End of basis
RF-Input
PCM-model
End of RF-Input
END OF INPUT
*-------------------------------------------------------------------------------
 &SCF &END
Title
aceton
ITERATIONS
 50
Occupied
12
End of input
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