H2 EOM-CCSD output

This commit is contained in:
EnzoMonino 2021-01-19 16:58:52 +01:00
parent e534bb8b0e
commit 5958a3904d
2 changed files with 122586 additions and 0 deletions

View File

@ -0,0 +1,10 @@
#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

File diff suppressed because it is too large Load Diff