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*performance test 910
*Responsible person: Roland Lindh
*Testing: SEWARD for H2CHfH2
*Runtime: about 3 min.
*-------------------------------------------------------------------------------
>>export MOLCAS_MOLDEN=OFF
>>export MOLCAS_NOCHECK=SEWARD_MLTPL1X,SEWARD_KINETIC,SEWARD_ATTRACT
>>export MOLCAS_MEM=512
*-------------------------------------------------------------------------------
&SEWARD &END
NoCD
Title
H2CHfH2
Douglas-Kroll
Basis set
Hf.ano-rcc...7s6p4d1f.
Hf 0.1274084559 -0.0956247065 3.9951014946
End of basis
Basis set
C.ano-rcc...3s2p1d.
C -0.1035320430 0.0323071443 0.1807064930
End of basis
Basis set
H.ano-rcc...3s2p.
H1 3.9253408643 -0.2222639524 4.1229258949
H2 -0.2229390778 3.6587118005 4.5624594149
H3 2.0354803876 0.0779720105 0.3698321328
H4 -0.6752300195 0.1810514713 -1.7801317100
End of basis
End of input
*-------------------------------------------------------------------------------
>>FILE checkfile
* This file is autogenerated:
* Molcas version 20.10-241-g70ed4f8b
* Linux otis 4.15.0-1073-oem #83-Ubuntu SMP Mon Feb 17 11:21:18 UTC 2020 x86_64 x86_64 x86_64 GNU/Linux
* Fri Nov 27 16:36:22 2020
*
#>> 1
#> POTNUC="189.679662896378"/12
>>EOF
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