%chk=cluster_model_staffetta_prot_ener_opt_freq_reag_deprot.chk
%nproc=16
%mem=64GB
#p freq b3lyp/6-31g(d) nosymm int=superfinegrid scf opt=tight scrf=(cpcm,solvent=water,read) iop(7/90=-1)

Molecule Name

-5 1
 C               -1  124.89900000   62.36000000  122.27600000
 C                0  126.19300000   62.30000000  123.05400000
 O                0  127.27900000   61.94500000  122.59100000
 O                0  126.14800000   62.55500000  124.31100000
 H                0  124.37300000   63.30100000  122.43400000
 H                0  124.28200000   61.54300000  122.64800000
 C               -1  129.03100000   55.06600000  123.79600000
 C                0  129.71600000   55.39900000  122.51700000
 O                0  129.06400000   56.02700000  121.64200000
 O                0  130.89300000   55.05600000  122.31900000
 H                0  129.24100000   55.88200000  124.48800000
 H                0  129.33300000   54.10900000  124.22200000
 C               -1  130.58100000   59.06900000  124.73000000
 C                0  129.25900000   59.56600000  124.05800000
 O                0  128.86100000   59.02200000  123.02700000
 O                0  128.81000000   60.74600000  124.34600000
 H                0  131.31200000   59.86800000  124.61300000
 H                0  130.90800000   58.23000000  124.11600000
 P                0  129.26300000   57.56400000  116.71200000
 P                0  127.31900000   55.97000000  117.95600000
 P                0  126.39300000   57.87300000  119.78800000
 C               -1  130.95200000   55.59600000  116.22200000
 O                0  130.43300000   56.85500000  115.80000000
 O                0  129.85000000   57.64900000  118.10100000
 O                0  128.41100000   55.58000000  118.83000000
 O                0  125.62300000   58.92000000  119.17400000
 O                0  128.95300000   58.78900000  116.07200000
 O                0  126.49300000   54.93500000  117.36400000
 O                0  127.85500000   58.06800000  119.90700000
 O                0  127.91900000   56.77300000  116.77000000
 O                0  126.37800000   56.98000000  118.54100000
 O                0  125.70700000   57.16600000  120.87000000
 H                0  130.23000000   55.10400000  116.87300000
 H                0  131.76600000   55.73600000  116.93300000
 Mg              -1  129.38400000   56.96800000  119.86700000
 O                0  131.32500000   56.02500000  120.00800000
 H                0  131.29800000   55.76400000  120.92900000
 H                0  132.05100000   55.52200000  119.63800000
 O                0  126.33300000   58.86900000  122.75700000
 H                0  127.25800000   59.11700000  122.77300000
 H                0  126.27000000   58.22300000  122.05300000
 O                0  130.39600000   58.54600000  120.82600000
 H                0  129.98300000   58.92600000  121.60100000
 H                0  131.29400000   58.87700000  120.84600000
 H               -1  131.28410000   54.98280000  115.41040000
 H               -1  127.96570000   54.96950000  123.82450000
 H               -1  130.63130000   58.79790000  125.76390000
 H               -1  125.01380000   62.24100000  121.21890000

eps=4.0

