%nproc=12
%Mem=20000MB
%Chk=IE9_OMe_4+2_TS100_200_enan_5_more2
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                -1.52801700    7.44793800    7.95948800
 C                 -4.32949800    5.29115600    7.84167900
 C                 -5.48521100    4.67607900    8.38465200
 C                 -6.34646600    3.89527100    7.60495600
 C                 -6.06857200    3.71804600    6.24167500
 C                 -4.93322100    4.31982100    5.68702300
 C                 -4.04203400    5.10807300    6.45665400
 C                 -2.89161700    5.68157400    5.69438000
 C                 -1.55353000    5.26168700    5.88265800
 C                 -0.53240400    5.65373300    5.00748800
 C                 -0.80445200    6.48818100    3.88937700
 C                 -2.13633400    6.95559300    3.73515100
 C                 -3.14836100    6.54857300    4.61174000
 C                 -0.15479100    7.42192000    1.65161600
 C                  1.00404900    6.97710600    0.71464200
 C                  2.16295900    6.64957500    1.67045500
 C                  1.43950300    6.02359000    2.88426600
 C                 -0.32318400    8.93982800    1.71542100
 C                 -1.50873600    9.52685800    1.24209600
 C                 -1.66043100   10.92295400    1.22789100
 C                 -0.62061800   11.75797200    1.65487000
 C                  0.56220100   11.17503300    2.13214000
 C                  0.70569700    9.78054100    2.17934500
 C                 -2.99731800   11.52492300    0.87386000
 C                  1.70517800   12.06417800    2.56146200
 C                  1.23546800    4.51663800    2.71169700
 C                  2.27967700    3.64270900    3.06136500
 C                  2.13566800    2.25634200    2.89247200
 C                  0.94315000    1.71772400    2.38618900
 C                 -0.10004800    2.59005800    2.04484400
 C                  0.04337300    3.97808000    2.19998400
 C                  3.30078200    1.35172900    3.21991400
 C                 -1.43151100    2.04137700    1.58874600
 C                 -2.65063900    5.29820700   10.34665200
 C                 -4.55306100    7.78047300    9.53387400
 P                 -3.35269300    6.40215400    8.94674200
 N                  0.19023800    6.80470500    2.95701200
 F                 -2.87799900   12.77467200    0.34755900
 F                 -3.78293500   11.63733800    1.99427800
 F                 -3.68787300   10.76099900   -0.01721800
 F                  1.27794100   13.30197900    2.94085600
 F                  2.60270700   12.24344600    1.54719300
 F                  2.40089400   11.53389100    3.61018200
 F                  3.96646200    1.77645300    4.33414700
 F                  4.21212300    1.32817200    2.20211600
 F                  2.90903600    0.06592000    3.43921900
 F                 -2.31290700    1.95911800    2.63154800
 F                 -2.01059400    2.84188900    0.64744500
 F                 -1.31977900    0.79220300    1.05779200
 H                 -1.10867700    6.99732400    1.28040000
 H                  1.25688200    7.75069400   -0.02701200
 H                  0.69810100    6.06793200    0.16833900
 H                  2.69400800    7.56347500    1.98811900
 H                  2.90420000    5.96216200    1.23310500
 H                  2.03374100    6.18573700    3.80005700
 H                 -5.73141400    4.81985600    9.43764400
 H                 -7.22925200    3.43689900    8.06224700
 H                 -6.72940200    3.11269900    5.61228700
 H                 -4.70494600    4.17479600    4.62560800
 H                 -1.31363300    4.57081400    6.69781200
 H                  0.47552300    5.27009100    5.18222300
 H                 -4.17056000    6.90533600    4.44408400
 H                 -2.39383100    7.64745300    2.93168900
 H                 -2.32524800    8.89428100    0.87722500
 H                  1.62586800    9.34952700    2.57811200
 H                 -0.73998700   12.84346500    1.64321300
 H                  0.82672900    0.63837400    2.26743200
 H                 -0.79108700    4.63486500    1.94055800
 H                  3.21112100    4.04267600    3.47607100
 C                  1.18621500    7.86644100    7.71839000
 C                  0.16729900    8.52682900    7.25671000
 C                 -0.11569200    9.73573800    6.47554400
 C                 -1.13165600    9.73298000    5.48914800
 H                 -1.66363300    8.80172500    5.27372100
 C                 -0.76205500   12.09870900    5.06548900
 H                 -1.00287500   13.01132600    4.51184700
 C                 -3.70990100    8.97689300   10.04188400
 H                 -3.05066400    8.70630300   10.88261000
 H                 -3.08228400    9.40387400    9.23951800
 H                 -4.39925400    9.76780900   10.39251500
 C                 -5.53909800    7.36304600   10.64341200
 H                 -6.19085900    6.52544600   10.34793600
 H                 -5.02066700    7.09895500   11.58048400
 H                 -6.19976000    8.22222200   10.86460800
 C                 -5.32388300    8.21759900    8.26517900
 H                 -4.63417100    8.45585400    7.43372400
 H                 -6.02672100    7.44068600    7.92051100
 H                 -5.90364100    9.12996400    8.49791400
 C                 -1.94078000    6.20883900   11.37462400
 H                 -1.23284500    6.90875700   10.89357600
 H                 -2.66060700    6.79435400   11.97197100
 H                 -1.36534800    5.57494800   12.07455900
 C                 -3.68455900    4.40748900   11.06990700
 H                 -3.16703400    3.88078500   11.89344500
 H                 -4.51247100    4.98113000   11.51544600
 H                 -4.10261300    3.63766000   10.40128800
 C                 -1.61208100    4.37279400    9.66469100
 H                 -1.18023200    3.69828900   10.42749700
 H                 -2.07603200    3.74545300    8.88237400
 H                 -0.78359400    4.94265900    9.20838900
 C                  1.68067800    6.90252400    8.73394300
 H                  2.13167700    6.01043000    8.26146000
 H                  0.83021200    6.54624800    9.33859000
 C                  2.71687700    7.58680300    9.65929200
 C                  3.84266600    8.15934500    8.74282200
 H                  4.37498700    8.95448900    9.29171000
 H                  4.57723300    7.36257500    8.52682300
 C                  3.26204675    8.74664024    7.46922823
 H                  3.02224375    9.81550424    7.44862923
 C                  3.16106467    7.96896539    6.29457158
 C                  3.57722588    6.52517016    6.16977926
 H                  2.68302924    5.88863841    6.02555608
 H                  4.20957954    6.39232678    5.27319035
 H                  4.12600459    6.13817828    7.04170857
 C                  2.64021933    8.59977691    5.03239044
 H                  3.37785409    8.46850526    4.21789115
 H                  1.70284440    8.10750269    4.71097461
 H                  2.42736073    9.67077312    5.14801971
 C                 -1.44795300   10.90281300    4.78990100
 H                 -2.22567300   10.88274700    4.01966900
 C                  0.24108900   12.11603100    6.04861700
 H                  0.77726900   13.04456700    6.27094000
 C                  0.55702500   10.94781900    6.75878800
 H                  1.30571300   10.97772300    7.55619800
 C                  2.02337100    8.73577000   10.43826400
 H                  1.61421900    9.47328000    9.72115300
 H                  1.17215600    8.32406800   11.01441200
 C                  3.31232600    6.55951400   10.62867400
 H                  3.79789100    5.73770300   10.05472700
 H                  4.09682500    7.04826900   11.24657500
 O                  2.94734400    9.41706400   11.28890500
 C                  2.73404800    9.16267100   12.68149300
 H                  3.55976800    9.65298200   13.22249700
 H                  1.77107700    9.59310400   13.02842200
 H                  2.73517500    8.07884600   12.91074000
 O                  2.26468200    6.04360700   11.44888800
 C                  2.74586500    5.07939000   12.38544600
 H                  1.87644100    4.73893400   12.97008800
 H                  3.20621200    4.20777500   11.87380900
 H                  3.49745600    5.52069000   13.07375500

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

Au 0
SDD


