%nproc=20
%Mem=20000MB
%Chk=IE9_OMe_4+2_D_TS200_100_2
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt=(modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm 
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                -1.26345275    7.09895948    8.03179986
 C                 -4.46870675    5.61357948    7.75728186
 C                 -5.69318375    5.09688648    8.24891486
 C                 -6.80315675    4.90090448    7.41819386
 C                 -6.71267875    5.23624648    6.05895386
 C                 -5.50564975    5.72874748    5.55027786
 C                 -4.36174375    5.91505448    6.36591886
 C                 -3.13536875    6.37123648    5.65180386
 C                 -1.97022175    5.56868048    5.58436986
 C                 -0.92151075    5.86813948    4.70967786
 C                 -1.00604075    6.98190148    3.83091286
 C                 -2.12019975    7.85099148    3.97512186
 C                 -3.16109875    7.53902048    4.85717586
 C                 -0.36006875    8.05086548    1.66483186
 C                  0.56661725    7.48906748    0.54690386
 C                  1.71180025    6.81960648    1.32476486
 C                  0.97631025    6.18461248    2.52738486
 C                 -0.09693375    9.53167348    1.91931986
 C                 -0.93341075   10.50424948    1.34981486
 C                 -0.63415875   11.86986248    1.49061186
 C                  0.49928225   12.28305348    2.20032986
 C                  1.33332625   11.30867148    2.77170186
 C                  1.03726525    9.94605748    2.63890886
 C                 -1.52749775   12.89714048    0.83766686
 C                  2.58128325   11.76011648    3.48498886
 C                  0.44068925    4.79288648    2.18449286
 C                  1.28793825    3.68230748    2.33926386
 C                  0.83855425    2.39220848    2.01438486
 C                 -0.46776875    2.18669848    1.54544486
 C                 -1.31489475    3.29496448    1.40126686
 C                 -0.86625175    4.58831548    1.71202686
 C                  1.79707125    1.23162348    2.14093086
 C                 -2.75727975    3.10563448    0.99652586
 C                 -2.62440775    4.48908148    9.88996586
 C                 -3.98728575    7.40816148   10.10025786
 P                 -3.16136675    6.07870048    8.97832986
 N                 -0.06110475    7.18523348    2.82622886
 F                 -1.51778575   14.08462248    1.51531186
 F                 -2.82377275   12.47474948    0.77723186
 F                 -1.13461575   13.16657348   -0.44103014
 F                  2.31986925   12.74470048    4.39987886
 F                  3.50495025   12.26521448    2.62371886
 F                  3.19048925   10.73623648    4.16949686
 F                  2.55062325    1.32839448    3.27618086
 F                  2.67169825    1.19334348    1.09126586
 F                  1.15504025    0.03105748    2.17398786
 F                 -3.57731875    3.09493948    2.09139086
 F                 -3.19144275    4.11928448    0.19148886
 F                 -2.95960275    1.93443948    0.33181386
 H                 -1.42290875    7.93311348    1.37256986
 H                  0.90669925    8.27671948   -0.14348114
 H                  0.01362625    6.73453048   -0.03951514
 H                  2.43826225    7.56816448    1.68739086
 H                  2.26031525    6.07104248    0.73129286
 H                  1.65416925    6.09218148    3.39387986
 H                 -5.79487175    4.85741048    9.30826886
 H                 -7.73191775    4.49934748    7.83634786
 H                 -7.57202275    5.10110248    5.39354686
 H                 -5.41831475    5.95596248    4.48229886
 H                 -1.91191975    4.65085848    6.17723086
 H                 -0.05334575    5.20616248    4.69036986
 H                 -4.02721075    8.20810248    4.91619686
 H                 -2.18213775    8.76919348    3.38468486
 H                 -1.82744675   10.19914748    0.79586486
 H                  1.67900725    9.19025348    3.09445286
 H                  0.71905625   13.34586048    2.32639686
 H                 -0.82077375    1.18139648    1.30601986
 H                 -1.55197975    5.43387148    1.60730086
 H                  2.30216025    3.82325648    2.72889086
 C                  0.25079937    9.53256604    7.60840670
 C                  0.41416125    8.17588048    7.43683986
 C                  1.59035891    7.45535511    6.95796171
 C                  2.16914176    6.40474628    7.71870979
 H                  1.72074268    6.14070069    8.68327773
 C                  3.88020228    6.07184485    6.01759788
 H                  4.76670053    5.53971357    5.65715830
 C                 -2.88203675    8.18012448   10.86228886
 H                 -2.32627975    7.54333948   11.56880786
 H                 -2.15521975    8.64067448   10.17191486
 H                 -3.36004375    8.99044148   11.44434186
 C                 -5.00478175    6.86749548   11.12470286
 H                 -5.84447775    6.33182048   10.65421086
 H                 -4.53130875    6.20709348   11.87088386
 H                 -5.43657775    7.72512548   11.67398586
 C                 -4.68660175    8.38712648    9.12378786
 H                 -3.99497575    8.75662948    8.34397986
 H                 -5.55471975    7.92604048    8.62338186
 H                 -5.04446975    9.26291648    9.69640186
 C                 -1.68329375    4.90052448   11.04425986
 H                 -0.88030875    5.57682048   10.69819386
 H                 -2.23160775    5.39339248   11.86508986
 H                 -1.20945575    3.99216048   11.46115686
 C                 -3.77084975    3.61181548   10.43648986
 H                 -3.32461575    2.76468548   10.99052186
 H                 -4.43022075    4.15054748   11.13565886
 H                 -4.38332875    3.18631548    9.62467586
 C                 -1.83210275    3.66206048    8.84824986
 H                 -1.48604975    2.72507148    9.32358086
 H                 -2.46350675    3.38612448    7.98462286
 H                 -0.94461675    4.20657448    8.47851686
 C                 -1.10372972   10.19950339    7.79345583
 H                 -1.15511991   10.80324872    8.71596087
 H                 -1.88331299    9.42712038    7.87938459
 C                 -1.42107305   11.08743129    6.56472264
 C                 -0.22601284   12.09352047    6.35583727
 H                 -0.24254001   12.45386048    5.31626038
 H                 -0.37170021   12.95838111    7.03257811
 C                  1.06739164   11.41748386    6.66383593
 H                  1.45720804   10.66906863    5.96773320
 C                  1.74463048   11.61800372    7.84939038
 C                  1.72552292   13.01971354    8.49121126
 H                  1.92840151   12.93970799    9.57240312
 H                  2.52723299   13.62101769    8.02963316
 H                  0.78172732   13.56629576    8.35409790
 C                  3.16761625   11.05067779    7.90743251
 H                  3.85821278   11.78694000    7.46222942
 H                  3.47023669   10.87742940    8.95368404
 H                  3.27946305   10.10596769    7.35599389
 C                  3.30961221    5.73566803    7.26146001
 H                  3.75528135    4.94305957    7.87145661
 C                  3.28798314    7.07379962    5.22695554
 H                  3.71086592    7.33056497    4.24960931
 C                  2.14912505    7.74507345    5.68724754
 H                  1.66202750    8.49248565    5.06032241
 C                 -1.56678698   10.19177629    5.30658599
 H                 -0.61742440    9.66039707    5.10358046
 H                 -2.33609580    9.42136202    5.49640696
 C                 -2.71418995   11.87947686    6.80457594
 H                 -2.59731084   12.53232165    7.69892348
 H                 -2.92236441   12.53431261    5.93087872
 O                 -1.88637761   10.97863440    4.15976025
 C                 -3.22192215   10.78668239    3.68543296
 H                 -3.39883626   11.56176303    2.92462175
 H                 -3.34293625    9.79128257    3.20911382
 H                 -3.96524685   10.88610620    4.49981344
 O                 -3.77359250   10.94426820    7.00592879
 C                 -5.02178021   11.59576689    7.24414347
 H                 -5.77213186   10.80350966    7.39391905
 H                 -4.98043543   12.23596087    8.15057490
 H                 -5.32303024   12.22624772    6.38078244

70 108 F

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

Au 0
SDD

—link1— 
%nproc=20
%Mem=20000MB
%Chk=IE9_OMe_4+2_D_TS200_100_2
#p geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt=(ts, noeigentest, calcfc,modredundant) EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1

70 108 A

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

Au 0
SDD



