%nprocshared=20
%mem=41GB
%chk=Me-TS1-2-6endo.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                 -1.33052715   -0.63246282   -0.10350447
 C                 -0.78009526    0.52358220   -0.01193026
 C                 -1.29860959    1.89588939   -0.05286696
 C                 -2.46524389    2.18072474   -0.79530159
 C                 -0.64228262    2.93287624    0.63217422
 H                  0.25069277    2.70412261    1.20709037
 C                 -2.27546694    4.52322422   -0.15614341
 H                 -2.65889002    5.53826540   -0.20444615
 C                 -3.18910336    1.08441517   -1.54523173
 H                 -2.60392703    0.82114478   -2.43650663
 H                 -4.14610295    1.47007142   -1.91962802
 C                 -3.45218266   -0.20378574   -0.78933913
 H                 -3.50113357   -1.08375303   -1.42767733
 C                 -3.91556845   -0.35743453    0.48949748
 C                 -4.35306631   -1.71065545    0.97968348
 H                 -3.84011862   -1.97565801    1.91390581
 H                 -4.19306765   -2.50293064    0.24417741
 H                 -5.42484399   -1.67740366    1.21662884
 C                 -4.06325085    0.75166703    1.49588746
 H                 -4.98595601    0.60911493    2.06954507
 H                 -4.07504960    1.74473237    1.04811983
 H                 -3.23506327    0.71548831    2.21604595
 Au                 1.34994041    0.22732512    0.01933352
 P                  3.67126275    0.09742828    0.03172535
 C                  4.46575338    1.61893186    0.67854813
 H                  4.17883560    2.47169302    0.05704751
 H                  5.55503644    1.50923214    0.66761104
 H                  4.12746474    1.79897254    1.70272203
 C                  4.40646676   -0.15717517   -1.62938003
 H                  4.03996645   -1.09801766   -2.04906265
 H                  5.49858170   -0.19028217   -1.55717491
 H                  4.10939635    0.66300916   -2.28870586
 C                  4.33710592   -1.26586329    1.06329684
 H                  3.99502948   -1.14340527    2.09471373
 H                  5.43168286   -1.25691569    1.03815511
 H                  3.97230163   -2.22341866    0.68131871
 C                 -1.13145417    4.23663778    0.59216620
 H                 -0.61883334    5.02386234    1.13692752
 C                 -2.93091179    3.49873358   -0.84157752
 H                 -3.82620417    3.72126116   -1.41659291
 C                 -1.24904917   -2.17014383   -0.12583055
 C                 -1.23237723   -2.85014769   -1.34393901
 C                 -1.19180855   -2.88305534    1.07167887
 C                 -1.15916059   -4.24278594   -1.36442739
 H                 -1.27829333   -2.28785300   -2.28784483
 C                 -1.11757222   -4.27606835    1.05134151
 H                 -1.20475908   -2.34725609    2.03182494
 C                 -1.10137837   -4.95600217   -0.16642890
 H                 -1.14664833   -4.77887540   -2.32450449
 H                 -1.07203738   -4.83788065    1.99567605
 H                 -1.04359491   -6.05404055   -0.18283412

1 12 F
1 14 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%chk=Me-TS1-2-6endo.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

1 12 A
1 14 A

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

Au 0
SDD








