%nprocshared=24
%mem=41GB
%chk=TSE2SM14.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                  0.05047388   -0.08693378   -3.04382210
 Au                 0.00769962    0.03045224   -0.71172919
 C                 -0.81653187    1.30273884   -3.86636830
 H                 -0.34891782    2.24667469   -3.57519258
 H                 -0.76173537    1.18796597   -4.95355693
 H                 -1.86479194    1.31521876   -3.55322702
 C                 -0.72526426   -1.61279623   -3.70147949
 H                 -1.77386416   -1.65405634   -3.39745952
 H                 -0.66014319   -1.62150998   -4.79429455
 H                 -0.20447801   -2.48641857   -3.29804668
 C                  1.75104275   -0.07555622   -3.72697768
 H                  2.30919355   -0.92624962   -3.32812189
 H                  1.71325961   -0.14163268   -4.81926459
 H                  2.25633328    0.84933997   -3.43424383
 C                  0.34780098    0.37559178    1.46043404
 C                 -0.79737742   -0.34461108    1.58431153
 H                 -0.77979131   -1.42858548    1.62488071
 C                  1.38645879    1.05736847    1.90009965
 H                  2.12932355    1.48175397    1.23192291
 H                  1.51070156    1.19380164    2.97325649
 H                 -1.77437990    0.12923853    1.51366459
 O                 -1.43619548   -0.56075625    3.79423981
 C                 -2.42539151    0.42996223    4.07075398
 H                 -2.15349968    1.40670488    3.63459491
 H                 -3.36387089    0.09907127    3.61945479
 H                 -2.58188384    0.55948905    5.14877922
 H                 -0.60595823   -0.26436848    4.23882998
 O                  0.89445717    0.26142256    5.15041459
 C                  1.79803096   -0.81632323    5.44731133
 H                  1.38497529   -1.49137739    6.21301734
 H                  1.93321942   -1.37103242    4.51765182
 H                  2.76974988   -0.43190869    5.77905507
 H                  0.72247582    0.74258238    5.97649207

16 22 F

-C -H -P -N -O 0
6-31G(d)
****
Au 0
SDD
****

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TSE2SM14.chk
#p opt=(modredundant,calcfc,ts,noeigentest,maxstep=10) freq b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm guess=read empiricaldispersion=gd3 geom=checkpoint scf=maxcyc=512

Opt freq

1 1

16 22 A

-C -H -P -N -O 0
6-31G(d)
****
Au 0
SDD
****

Au 0
SDD



