%chk=PROT-Reac_ener_freq.chk
%mem=64gb
%nprocshared=16
#p freq b3lyp/6-311++g(2d,2p) nosymm int=superfinegrid scf=xqc  iop(7/90=-1)

Title

-3 1
O	0	74.85815	40.87571	77.17781
H	0	74.01857	41.37073	77.22209
H	0	75.00327	40.54093	78.08507
O	0	71.79162	35.14551	80.42831
H	0	72.41632	34.8723	81.10991
H	0	72.23511	34.88105	79.56667
O	0	70.40504	37.7483	79.64967
H	0	70.28741	38.49961	79.0299
H	0	70.06463	38.04039	80.50665
C	-1	73.23608	43.91986	78.73706
C	0	72.07949	43.27119	77.95408
O	0	72.37861	42.27166	77.20952
O	0	70.94372	43.77055	78.06468
H	-1	72.93696	44.15107	79.75998
H	0	73.49326	44.86313	78.25013
H	0	74.11909	43.2865	78.75321
C	-1	74.47599	35.992	76.7371
C	0	73.55305	35.85393	77.94498
O	0	73.26533	36.89879	78.59164
O	0	73.10195	34.70038	78.19883
H	-1	75.299	36.69002	76.89096
H	0	73.88566	36.37961	75.90334
H	0	74.86947	35.01971	76.44884
C	-1	70.08702	38.19899	76.08403
C	0	70.45369	39.53308	76.702
O	0	70.13943	39.78237	77.86117
O	0	71.13454	40.37076	75.95307
H	-1	70.22501	38.096	75.008
H	0	69.05236	37.97672	76.33821
H	0	70.70427	37.44364	76.57409
H	0	71.48291	41.17199	76.50295
P	0	71.67965	38.04981	83.55455
P	0	74.5062	37.43551	82.69966
P	0	74.38405	39.81854	80.92488
C	-1	71.40102	35.46303	83.91197
O	0	71.31068	36.7807	84.49801
O	0	71.20919	37.7025	82.1634
O	0	73.84466	36.53489	81.67624
O	0	74.18472	41.06571	81.77697
O	0	71.1933	39.29128	84.22545
O	0	75.51165	36.85347	83.62755
O	0	73.0806	39.1593	80.50034
O	0	73.30375	38.09889	83.62127
O	0	75.13706	38.71979	81.98463
O	0	75.40396	39.99375	79.81297
H	-1	71.457	34.77702	84.75701
H	0	72.3031	35.36207	83.31402
H	0	70.52536	35.25651	83.3012
Mg	-1	72.36	37.28903	80.46289
H	-1	71.26735	44.03756	86.90461
H	-1	78.45092	40.33279	80.80732
H	-1	76.77062	40.58111	84.80865
C	-1	71.71928	44.26519	85.93911
H	0	70.95263	44.10677	85.18085
C	0	72.20803	45.70442	85.90068
H	0	72.97429	45.87614	86.65929
H	0	72.6305	45.94362	84.92494
H	0	71.38198	46.38983	86.09753
O	0	72.74715	43.32196	85.64647
H	0	73.49233	43.44214	86.24197
C	-1	78.40593	41.16603	80.10597
H	0	79.22352	41.84139	80.37624
C	0	78.62757	40.64775	78.68688
H	0	77.82911	39.96425	78.40109
H	0	78.64066	41.47422	77.97434
H	0	79.58043	40.11589	78.61755
O	0	77.20988	41.90458	80.25107
H	0	76.46545	41.26416	80.11829
C	-1	75.68302	40.60406	84.87693
H	0	75.3043	39.67047	84.46677
C	0	75.27886	40.74061	86.33626
H	0	74.1938	40.7235	86.44509
H	0	75.69233	39.91777	86.92218
H	0	75.65381	41.67684	86.75625
O	0	75.18765	41.7145	84.13154
H	0	75.03109	41.42541	83.19784
K	-1	72.44188	41.79293	83.5421