Gaussian 16 1-Mar-2023 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 115 115 302 303 2947 (5D, 7F) def2TZVPP UB3LYP def2TZVPP SP # sp b3lyp/def2tzvpp empiricaldispersion=gd3bj scf=(tight,maxconventionalcycles=150,xqc) guess=mix 1142.0112000000017 -1 2 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/software/all/Gaussian/g16.C02/bin/g16 /software/all/Gaussian/g16.C02/bin/l1.exe "/work/users/my119noko/2154871/Gau-2831266.inp" -scrdir="/work/users/my119noko/2154871/" Mem=76GB CPU=2-65,130-193 Chk=/home/sc.uni-leipzig.de/my119noko/g16/chk/V6-Ad_VDE.chk # sp b3lyp/def2tzvpp empiricaldispersion=gd3bj scf=(tight,maxconventio 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,74=-5,124=41/1,2,3 4/13=-1/1 5/5=2,8=3,13=1,32=2,38=5,85=150/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Title Stoichiometry C34H48N2O25V6(1-,2) Framework group C1[X(C34H48N2O25V6)] Deg. of freedom 339 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 3396 A 2947 A 4707 3396 18582.5003274499 115 1.00e+00 60 T 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1142.0112000000017 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