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H2 TDDFT Gaussian results

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EnzoMonino 2021-01-19 16:33:50 +01:00
parent 3aa0ccdfbd
commit e534bb8b0e
2 changed files with 38027 additions and 0 deletions
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output/H2/TDDFT/h2_scan_uhf.com Normal file
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#P BHandHLYP UHF/cc-pvqz TD=(NStates=10) 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/TDDFT/h2_scan_uhf.log Normal file
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