%chk=TS1_ener_opt_freq.chk
%mem=64gb
%nprocshared=16
#p freq b3lyp/6-311++g(2d,2p) nosymm int=superfinegrid scf opt=(Noeigentest,TS,CalcFC,tight,MaxStep=5) scrf=(cpcm,solvent=water,read) iop(7/90=-1)

Title

-4 1
C -1 124.90057 62.35901 122.27627
C 0 124.50761 63.81703 122.64714
O 0 124.87850 64.72334 121.84671
O 0 123.87991 63.97686 123.73262
H 0 124.15988 61.64187 122.64834
H 0 125.85724 62.09073 122.74008
C -1 129.03100 55.06592 123.79602
C 0 129.62480 55.50321 122.47957
O 0 128.84349 55.85041 121.55967
O 0 130.90023 55.52771 122.40202
H 0 129.30455 55.81488 124.55112
H 0 129.49054 54.12269 124.11627
C -1 130.58049 59.06912 124.72983
C 0 129.16240 59.02269 124.15739
O 0 129.09202 59.38799 122.92607
O 0 128.21417 58.65714 124.87517
H 0 130.99818 60.07488 124.59930
H 0 131.22565 58.38838 124.15969
P 0 129.47779 57.72786 116.64224
P 0 127.33726 55.89025 117.74989
P 0 126.39449 58.32848 120.20429
C -1 130.95206 55.59596 116.22200
O 0 130.55481 56.87846 115.71439
O 0 130.01981 57.80873 118.06573
O 0 128.43752 55.50325 118.76620
O 0 125.70762 59.43603 119.44482
O 0 129.18426 59.02041 115.91849
O 0 126.70748 54.74303 116.99759
O 0 127.91466 58.29861 120.16970
O 0 128.17969 56.76649 116.53989
O 0 126.35444 56.94850 118.32068
O 0 125.58256 57.30586 120.97007
H 0 130.11747 55.09414 116.72076
H 0 131.76335 55.70699 116.94983
Mg -1 129.38398 56.96817 119.86701
O 0 131.03916 55.45345 119.69194
H 0 131.07678 55.27978 120.66902
H 0 130.31744 54.89941 119.33467
O 0 126.55214 59.48425 122.18686
H 0 127.52844 59.44582 122.43810
H 0 126.15112 58.79445 122.73887
O 0 130.70415 58.05990 121.15524
H 0 130.12035 58.59530 121.76613
H 0 131.00405 57.29719 121.69991
H -1 131.28405 54.98278 115.41039
H -1 127.96570 54.96954 123.82450
H -1 130.63120 58.79809 125.76396
H -1 125.01280 62.24157 121.21873
H -1 126.38680 62.42221 113.69414
H -1 122.79651 55.41464 120.18684
H -1 123.62188 56.42678 116.05269
C -1 125.89097 62.29901 114.65699
H 0 126.61743 62.58339 115.42604
C 0 124.65739 63.18986 114.75015
H 0 123.92020 62.92172 113.98233
H 0 124.18355 63.08999 115.73252
H 0 124.93062 64.24122 114.60113
O 0 125.59989 60.92494 114.89628
H 0 124.89429 60.63382 114.29889
C -1 122.43899 56.16504 120.89199
H 0 121.34288 56.17772 120.79813
C 0 122.82547 55.74671 122.31347
H 0 122.41634 56.45438 123.04463
H 0 122.44774 54.74289 122.55107
H 0 123.91544 55.74293 122.41782
O 0 122.88809 57.46142 120.56288
H 0 123.87718 57.45781 120.65917
C -1 124.44900 57.09500 115.81302
H 0 125.34772 56.46855 115.78327
C 0 124.19789 57.71277 114.43978
H 0 125.06436 58.30360 114.11872
H 0 124.01761 56.93496 113.68685
H 0 123.31911 58.37097 114.46582
O 0 124.58222 58.11833 116.78260
H 0 125.15013 57.71274 117.49848
K -1 126.70905 60.00599 117.10197

eps=4.0

