%chk=cluster_model_staffetta_prot_TS_reag_deprot2_prod_IRC1_last.chk
%nproc=16
%mem=24GB
#p freq b3lyp/6-31g(d) nosymm int=superfinegrid scf opt=tight scrf=(cpcm,solvent=water,read) iop(7/90=-1)

Reac

-5 1
 C               -1   -3.22501200    4.51823600    2.12058100
 C                0   -3.94235800    5.85726200    2.45988200
 O                0   -3.50110000    6.88718200    1.87331900
 O                0   -4.88470300    5.81130100    3.30097600
 H                0   -3.75262700    3.65066000    2.52579700
 H                0   -2.21260900    4.52079200    2.54627100
 C               -1    0.90536000   -2.77491800    3.64040200
 C                0    1.51965100   -2.23838900    2.37104900
 O                0    0.75669400   -1.95944600    1.41637900
 O                0    2.78917300   -2.10252200    2.36545700
 H                0    1.20620400   -2.12355800    4.47152500
 H                0    1.34719900   -3.75634000    3.86144400
 C               -1    2.45485700    1.22828100    4.57434900
 C                0    0.98978300    1.43755300    4.15117300
 O                0    0.78087900    1.46374600    2.88518500
 O                0    0.13355800    1.58740700    5.04302300
 H                0    3.02290900    2.15477900    4.41759000
 H                0    2.92933000    0.44848700    3.96852500
 P                0    1.32928200   -0.12137200   -3.45813900
 P                0   -0.42525900   -2.47647700   -2.54049700
 P                0   -1.96034500    0.07550900    0.04593500
 C               -1    2.82641200   -2.24488900   -3.93362900
 O                0    2.39170400   -0.97872800   -4.41733200
 O                0    1.93751300   -0.00778200   -2.05325800
 O                0    0.62517900   -2.50615100   -1.37593700
 O                0   -2.87348300    0.95540800   -0.75060100
 O                0    1.05861500    1.14003700   -4.22792700
 O                0   -0.23314100   -3.62592000   -3.51927400
 O                0   -0.46287000    0.22686900   -0.16500800
 O                0    0.02143000   -1.05650000   -3.44184500
 O                0   -1.84191700   -2.16201700   -2.09145300
 O                0   -2.50170000   -0.99688600    0.94983800
 H                0    2.01955100   -2.78954800   -3.43998200
 H                0    3.65464000   -2.12633500   -3.22191800
 Mg              -1    1.25835400   -0.87271200   -0.28864900
 O                0    3.09924600   -2.29441600   -0.38648300
 H                0    3.04792500   -2.47901800    0.57943600
 H                0    2.35733100   -2.77890900   -0.82186000
 O                0   -1.84646600    1.34415800    2.16796400
 H                0   -0.88639000    1.43041000    2.42862400
 H                0   -2.09319000    0.44842500    2.45382300
 O                0    2.43403100    0.34073300    1.03468500
 H                0    1.82775000    0.80391500    1.68460200
 H                0    2.79706600   -0.41369300    1.55471900
 H               -1    3.15840800   -2.85806100   -4.74522900
 H               -1   -0.15995500   -2.87130500    3.66886900
 H               -1    2.50564000    0.95718000    5.60831100
 H               -1   -3.11302300    4.40077300    1.06308700

eps=4.0