%chk=cluster_model_staffetta_prot_TS_prod_prod2_attempt3_IRC_1_1st.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

-4 1
 C               -1   -3.51952600    4.67179300    1.92259300
 C                0   -2.26472400    4.36656200    2.71225800
 O                0   -2.42510800    3.28599100    3.49005000
 O                0   -1.27708600    5.08180600    2.73818800
 H                0   -3.79927500    5.71617700    2.10956100
 H                0   -4.33956700    4.02444300    2.24303400
 C               -1    0.61186500   -2.62132000    3.44156100
 C                0    1.19446400   -1.74481400    2.36267100
 O                0    0.42043300   -1.31751500    1.46832800
 O                0    2.45081300   -1.54057200    2.39970300
 H                0    0.96072000   -2.27799900    4.42373600
 H                0    1.03306600   -3.62800500    3.31382200
 C               -1    2.16185700    1.38151500    4.37597700
 C                0    0.79181700    1.85947900    3.89146400
 O                0    0.75175100    1.95413400    2.57107700
 O                0   -0.12453400    2.16632300    4.65261200
 H                0    2.88134000    2.18879700    4.19025500
 H                0    2.48014000    0.52564100    3.77194200
 H                0   -1.55802700    3.00752400    3.88340700
 P                0    0.58701100   -0.44549100   -3.58706500
 P                0   -0.46471600   -3.04093500   -2.30826400
 P                0   -1.67015500    1.30539200    0.38651500
 C               -1    2.53284800   -2.09176800   -4.13159800
 O                0    1.59772500   -1.16561400   -4.68109000
 O                0    1.46805900   -0.15220600   -2.36288900
 O                0    0.38989900   -2.60427900   -1.05859300
 O                0   -1.15254200    2.72925300    0.74825100
 O                0   -0.07230300    0.68696800   -4.31833300
 O                0    0.25081600   -4.08986900   -3.14740900
 O                0   -0.61771600    0.52139000   -0.45394100
 O                0   -0.50033000   -1.59239400   -3.26026800
 O                0   -1.92709900   -3.27453400   -1.98936000
 O                0   -3.09538500    1.20570000   -0.13176000
 H                0    2.07173600   -2.74972100   -3.39338100
 H                0    3.39091700   -1.56835200   -3.69113700
 Mg              -1    0.96539500   -0.71991800   -0.48578600
 O                0    2.85442600   -2.25256800   -0.32791400
 H                0    2.83503100   -2.30084900    0.64757000
 H                0    2.04096400   -2.73233400   -0.64830400
 O                0   -1.61578000    0.54702800    1.89138500
 H                0   -0.11977800    2.24999500    2.08011700
 H                0   -1.03692700   -0.23296900    1.78342500
 O                0    2.39156900    0.53416600    0.58760500
 H                0    1.80015300    1.13424700    1.08421700
 H                0    2.60866000   -0.16151800    1.26133300
 H               -1    2.86515500   -2.70486000   -4.94318900
 H               -1   -0.45325600   -2.71851200    3.47132800
 H               -1    2.21223400    1.11007200    5.41031900
 H               -1   -3.40523900    4.55354100    0.86527700

eps=4.0