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H2 EOM-CCSD output

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EnzoMonino 2021-01-19 16:58:52 +01:00
parent e534bb8b0e
commit 5958a3904d
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output/H2/EOM-CCSD/h2_scan_step.com Normal file
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#P EOMCCSD(NStates=10,EnergyOnly,Singlets,Root=10) cc-pvqz 6D 10F guess=mix pop=full nosym scan
h2 molecule
0 1
h
h 1 R
R 0.5 70 0.05

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output/H2/EOM-CCSD/h2_scan_step.log Normal file
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