%nprocshared=20
%mem=41GB
%chk=Ph-TS10-12.chk
#p opt=(maxstep=5,loose,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf=(xqc,maxcyc=512)

preopt freq loose

1 1
 C                  1.09716784   -3.01814237   -0.50233592
 C                 -0.05533663   -2.37707085    0.01405669
 C                 -1.10672414   -3.19222298    0.46958887
 C                  0.10791850   -5.19945895   -0.11756282
 H                 -1.99811684   -2.71937726    0.87485136
 H                  0.17532992   -6.28258205   -0.17011378
 C                 -0.14120248   -0.89118610    0.02871260
 C                  1.01789480   -0.17987203    0.00297257
 C                  2.23686136   -2.14066820   -0.97674771
 H                  3.16437968   -2.71176654   -1.05504424
 H                  2.01227936   -1.74845373   -1.97852434
 C                  3.14617656   -1.00321340    1.12552717
 C                  2.94168181   -0.08755041    2.28666121
 H                  3.58119521    0.79492823    2.15178204
 H                  3.28435400   -0.57695944    3.20433754
 H                  1.90319722    0.22695196    2.39624593
 C                  4.35196043   -1.87789809    1.22447341
 H                  4.12044728   -2.67845724    1.94188282
 H                  5.19129769   -1.31045268    1.64111561
 H                  4.65016233   -2.34232044    0.28509482
 P                 -4.16688597    0.98361792   -0.03488487
 C                 -4.82237463    1.50067923    1.60373281
 H                 -5.82451101    1.92986026    1.49939599
 H                 -4.15300419    2.24465674    2.04538318
 H                 -4.86695066    0.63280358    2.26799893
 C                 -4.29818220    2.50129213   -1.06488158
 H                 -5.31999718    2.89461571   -1.04397724
 H                 -4.02083583    2.26533172   -2.09634310
 H                 -3.60972010    3.26112602   -0.68359792
 C                 -5.47079789   -0.12641295   -0.70624584
 H                 -5.52998424   -1.02927872   -0.09147334
 H                 -5.20873010   -0.41663704   -1.72792828
 H                 -6.44392501    0.37585263   -0.70864589
 Au                -2.02180544    0.00883489    0.01562726
 C                 -1.02801528   -4.58510587    0.41256491
 H                 -1.85527891   -5.18782634    0.77789631
 C                  1.16764158   -4.40876852   -0.57333154
 H                  2.06085748   -4.87851370   -0.97935451
 C                  2.32659435   -0.95450489   -0.01490028
 H                  3.19410479   -0.18852116   -0.56845574
 O                  3.96893480    0.68126173   -1.41888848
 H                  4.64656350    1.00303999   -0.75905787
 C                  4.63127065    0.02184974   -2.51621037
 O                  5.52685803    1.32364146    0.63167009
 H                  5.27875348   -0.79010056   -2.16728182
 H                  3.85292476   -0.38466895   -3.16316479
 H                  5.22389071    0.75253060   -3.07471478
 H                  6.43695851    0.98620908    0.60481073
 C                  5.55727495    2.71809705    0.99206070
 H                  4.52088113    3.06075050    0.98207606
 H                  5.97170774    2.84784758    1.99714805
 H                  6.13857257    3.30449641    0.27208350
 C                  1.11803709    1.35411788   -0.08893209
 C                  1.52894949    1.95627849   -1.27848034
 C                  0.79784688    2.14151629    1.01697484
 C                  1.62027080    3.34550108   -1.36180352
 H                  1.78204961    1.33519595   -2.14993808
 C                  0.88819660    3.53121999    0.93348568
 H                  0.47379527    1.66709250    1.95454704
 C                  1.29945846    4.13328513   -0.25559726
 H                  1.94475168    3.82017458   -2.29919017
 H                  0.63528180    4.15181250    1.80547953
 H                  1.37148149    5.22862035   -0.32155017

39 40 F
40 41 F

C H P O 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Ph-TS10-12.chk
#p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP genecp EmpiricalDispersion=GD3 nosymm scf=(xqc,maxcyc=512) gfinput gfprint

opt freq

1 1

39 40 A
40 41 A

C H P O 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD









