%chk=cluster_model_staffetta_prot_TS_prod_prod2_attempt3_IRC_1_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

-4 1
 C               -1   -3.51952600    4.67179300    1.92259300
 C                0   -2.25646300    4.36781400    2.70529700
 O                0   -2.39387900    3.27479000    3.47080700
 O                0   -1.27572400    5.09180600    2.72903200
 H                0   -3.80065700    5.71463800    2.11519100
 H                0   -4.33619400    4.02128700    2.24636000
 C               -1    0.61186500   -2.62132000    3.44156100
 C                0    1.18677100   -1.74315500    2.36065500
 O                0    0.40004100   -1.30024200    1.47845600
 O                0    2.44278100   -1.55301400    2.38248900
 H                0    0.96164200   -2.27452200    4.42199600
 H                0    1.03505400   -3.62677100    3.31349900
 C               -1    2.16185700    1.38151500    4.37597700
 C                0    0.77425000    1.78992900    3.91838900
 O                0    0.62374900    1.73790800    2.63492400
 O                0   -0.11238200    2.14620000    4.71794800
 H                0    2.85179800    2.21850400    4.20490700
 H                0    2.51215900    0.54191000    3.77024800
 H                0   -1.51988000    3.00713200    3.87121900
 P                0    0.58635900   -0.44531000   -3.58716500
 P                0   -0.46588400   -3.04005000   -2.30739800
 P                0   -1.69450300    1.37889600    0.26300500
 C               -1    2.53284800   -2.09176800   -4.13159800
 O                0    1.59735900   -1.16510400   -4.68003300
 O                0    1.46500500   -0.15133900   -2.36095100
 O                0    0.38649700   -2.60103500   -1.05614900
 O                0   -1.31567600    2.83071500    0.47531200
 O                0   -0.07353400    0.68696800   -4.31775100
 O                0    0.25159800   -4.08868900   -3.14461800
 O                0   -0.62813900    0.52491200   -0.46202000
 O                0   -0.50131800   -1.59193400   -3.25941700
 O                0   -1.92818700   -3.27403400   -1.98886700
 O                0   -3.13262600    1.05484100   -0.07152600
 H                0    2.07189400   -2.74995500   -3.39349000
 H                0    3.39091500   -1.56833500   -3.69132300
 Mg              -1    0.96539500   -0.71991800   -0.48578600
 O                0    2.85016400   -2.24414300   -0.33027700
 H                0    2.83322700   -2.29896800    0.64515300
 H                0    2.04153900   -2.73061100   -0.65186000
 O                0   -1.43941300    0.72176300    1.93516700
 H                0   -0.52055500    1.32580500    2.29899600
 H                0   -1.03905600   -0.17207200    1.79948100
 O                0    2.36648100    0.54971700    0.60508800
 H                0    1.77002000    1.11136400    1.14895600
 H                0    2.61712000   -0.15840800    1.25138200
 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