%nprocshared=24
%mem=41GB
%chk=TS2SM14.chk
#p opt=(modredundant,loose) b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512

Loose preopt

1 1
 P                  0.01642220    0.07049088   -3.46707359
 Au                 0.53819929    0.01831359   -1.18824574
 C                 -1.35076501    1.22097315   -3.87890052
 H                 -1.07885699    2.23446662   -3.57138940
 H                 -1.54400543    1.20567271   -4.95640374
 H                 -2.25464426    0.91948279   -3.34243670
 C                 -0.50083811   -1.55810703   -4.13299897
 H                 -1.39912978   -1.89750644   -3.61001971
 H                 -0.71088574   -1.47478872   -5.20426114
 H                  0.29837147   -2.28703238   -3.97407386
 C                  1.42524830    0.59467121   -4.51680187
 H                  2.26275633   -0.09368840   -4.37349301
 H                  1.12731740    0.59288532   -5.57033806
 H                  1.74089259    1.60116103   -4.22881425
 C                  1.24238775    0.17301985    0.86908586
 C                  0.27366122   -0.71979850    1.26156170
 H                  0.43072203   -1.78922834    1.14842382
 C                  2.25825193    0.94496348    1.22051725
 H                  2.80850098    1.54604844    0.50391950
 H                  2.57253364    1.00041706    2.26179322
 O                  0.49179847   -0.95080809    3.54905071
 C                  0.64218441   -2.34608354    3.35707681
 H                 -0.24408564   -2.81169846    2.89503222
 H                  1.49120590   -2.49956361    2.68196413
 H                  0.85444663   -2.88383495    4.29547360
 H                  1.11892644   -0.69539185    4.25699884
 O                  1.99361816    0.38900244    5.42525768
 C                  0.96372820    1.21176978    5.98823266
 H                  1.34405752    2.21048552    6.23814563
 H                  0.18658070    1.30228315    5.22497704
 H                  0.52200065    0.75934022    6.88453255
 H                  2.54324246    0.04187818    6.14409853
 C                 -1.17642328   -0.25088525    1.48286532
 C                 -2.23652426   -1.12616629    1.24508295
 C                 -1.43001794    1.04879597    1.92111937
 C                 -3.54992151   -0.70156404    1.44488869
 H                 -2.03629645   -2.15050329    0.89883979
 C                 -2.74371449    1.47337372    2.12198001
 H                 -0.59460359    1.73872880    2.10874819
 C                 -3.80363252    0.59850753    1.88382057
 H                 -4.38558411   -1.39121558    1.25688529
 H                 -2.94334115    2.49804290    2.46792292
 H                 -4.83927961    0.93304763    2.04134630

16 21 F

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

Au 0
SDD

--link1--
%nprocshared=24
%mem=41GB
%chk=TS2SM14.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 21 A

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

Au 0
SDD



