%nproc=12
%Mem=20000MB
%Chk=IE14_TSInt1b-2b_oriB2_less3
#p SCRF=(PCM,Solvent=dichloroethane) BP86/genecp opt temperature=294.15 EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 Au                -0.21440500    7.82217000    7.72486700
 C                 -2.49136300    5.04968000    7.78437300
 C                 -3.45539000    4.26043200    8.44815800
 C                 -4.22164200    3.30331800    7.77242900
 C                 -4.03021300    3.09839200    6.39817300
 C                 -3.07688200    3.86580700    5.72574300
 C                 -2.30302500    4.85231100    6.38414200
 C                 -1.35937800    5.60813900    5.51194600
 C                 -0.37872200    4.91597200    4.77142100
 C                  0.40783600    5.58054700    3.81513000
 C                  0.23177000    6.95635700    3.58207200
 C                 -0.71767300    7.65814900    4.35594900
 C                 -1.51563300    6.99827600    5.29741100
 C                  1.62406100    8.83471400    2.69613600
 C                  1.26802000    9.74646900    1.49028900
 C                  0.80231400    8.75710500    0.40231800
 C                  0.12795200    7.59904700    1.16921300
 C                  3.13144000    8.58748100    2.77645100
 C                  3.96193300    9.57467600    3.32767300
 C                  5.35188400    9.39587400    3.38141100
 C                  5.94739500    8.24048000    2.85274600
 C                  5.11657000    7.25712800    2.29224200
 C                  3.72051100    7.41542200    2.26945700
 C                  6.17155000   10.38810800    4.15995700
 C                  5.72713200    5.95335000    1.83798000
 C                 -1.37141500    7.72507500    1.43482400
 C                 -2.12082600    6.54417500    1.60104000
 C                 -3.41010100    6.58234000    2.15246300
 C                 -3.98274500    7.80066000    2.54839300
 C                 -3.25334200    8.98168500    2.34936100
 C                 -1.97151600    8.94854300    1.77970800
 C                 -4.19968700    5.30994000    2.34334300
 C                 -3.76423300   10.27494200    2.93159100
 C                 -0.18693800    4.95846300    9.63769000
 C                 -2.58294400    7.05599100   10.08998300
 P                 -1.43477600    6.16222000    8.82991500
 N                  0.88808700    7.57749400    2.47065000
 F                  7.49525600   10.33236700    3.88752400
 F                  6.03783000   10.10781500    5.52167000
 F                  5.74969200   11.66694400    3.99697200
 F                  6.98337000    6.12270300    1.33784000
 F                  4.97764900    5.33915700    0.88153100
 F                  5.83081300    5.07891200    2.88817600
 F                 -4.86895300    5.31180900    3.53391800
 F                 -3.39851900    4.20034100    2.32999800
 F                 -5.13308400    5.13874900    1.36421200
 F                 -3.27038700   11.37095600    2.28642400
 F                 -5.11960900   10.35831300    2.92264600
 F                 -3.36816600   10.39136800    4.24830200
 H                  1.31167200    9.32101600    3.63944500
 H                  2.12432600   10.36277200    1.16654200
 H                  0.46748000   10.44249500    1.79089700
 H                  1.67721200    8.36053700   -0.14171300
 H                  0.12400400    9.21381200   -0.33672200
 H                  0.29854700    6.63882200    0.65095300
 H                 -3.60067700    4.36106600    9.52298100
 H                 -4.61976900    2.34996200    5.86118500
 H                 -2.93938200    3.73387100    4.64988900
 H                 -0.25210000    3.83958900    4.92950500
 H                  1.13804900    5.02979700    3.21297000
 H                 -2.33786400    7.53771900    5.78137400
 H                 -0.88641300    8.71695700    4.15661400
 H                  3.51570100   10.49435800    3.71269200
 H                  3.07040000    6.63434800    1.86752400
 H                  7.02973100    8.09952700    2.89735700
 H                 -4.96909000    7.82736800    3.01845800
 H                 -1.41962900    9.88466000    1.67462100
 H                 -1.66708000    5.57852700    1.35950800
 C                  2.11501200    9.06568400    7.73918900
 C                  1.04301700    9.37535900    7.07877900
 C                 -1.81583400    8.29917600   10.61577400
 H                 -0.86725600    8.03854800   11.11316900
 H                 -1.58291800    9.01034800    9.80505500
 H                 -2.45750200    8.81705800   11.35084200
 C                 -3.02558600    6.22496200   11.31523400
 H                 -3.61556200    5.33039500   11.06189000
 H                 -2.16879100    5.91322300   11.93465200
 H                 -3.67033000    6.86201500   11.94625400
 C                 -3.81246300    7.54035300    9.28574000
 H                 -3.50782400    8.10671500    8.38574500
 H                 -4.46384400    6.70947100    8.96753800
 H                 -4.40802200    8.21755100    9.92334200
 C                  0.60833100    5.71771700   10.72102200
 H                  1.03474000    6.65927700   10.33117300
 H                 -0.00152700    5.95294300   11.60730000
 H                  1.45048400    5.08409500   11.05416700
 C                 -0.84295400    3.69789000   10.23657300
 H                 -0.05315200    3.08388500   10.70388600
 H                 -1.58497900    3.93350600   11.01818700
 H                 -1.33170200    3.07971500    9.46530800
 C                  0.77670300    4.53866300    8.49973600
 H                  1.48579100    3.78404000    8.89394200
 H                  0.24001300    4.08437800    7.64799400
 H                  1.36535700    5.39684800    8.12590000
 C                 -5.28805000    2.53795700    8.51975700
 F                 -4.96644800    2.36971600    9.83613400
 F                 -5.49722700    1.30220100    7.98482400
 F                 -6.48599700    3.19578300    8.48554100
 C                  0.87511900   10.46270000    6.12730600
 C                 -0.32638100   10.76464300    5.45722500
 C                 -0.34743900   11.74092100    4.44970500
 H                 -1.23434700   10.21858400    5.72469200
 C                  0.82621700   12.43555800    4.11354000
 H                 -1.28480000   11.94597800    3.92114100
 H                  0.81293800   13.19207200    3.32047600
 C                  2.05230600   11.20062700    5.81127500
 C                  2.02222700   12.17879100    4.80701400
 H                  2.93608200   12.73908700    4.57832300
 C                  3.04396800    8.47292200    8.58981900
 C                  2.84974600    8.52071000   10.02178400
 C                  4.13260300    7.74412100    8.03020700
 C                  1.78872400    9.25667400   10.61647900
 C                  3.73126600    7.75870900   10.85942200
 C                  5.01618300    7.02900900    8.88281100
 C                  1.60999000    9.23791600   11.99379000
 H                  1.11719900    9.83604300    9.97753800
 C                  3.51945700    7.75555400   12.26721500
 C                  4.79998400    7.03263400   10.25212900
 H                  5.86341500    6.47680100    8.46954400
 C                  2.47624400    8.48295100   12.82932400
 H                  0.79300100    9.81261600   12.44052900
 H                  4.19602300    7.16950100   12.90004800
 H                  5.48108100    6.46906800   10.90147400
 H                  2.32224900    8.47574800   13.91188000
 O                  4.23257600    7.79084100    6.68647500
 C                  5.23056400    6.97140200    6.03299200
 H                  5.17450200    5.92561800    6.37824700
 H                  4.98534500    7.01786400    4.96756800
 H                  6.23919500    7.38554900    6.20504800
 N                  3.22484800   10.90613800    6.58962700
 H                  4.00880000   10.47229400    6.07689900
 O                  4.87082800   12.93572800    6.73293500
 O                  2.60686100   12.98753600    7.97475700
 C                  6.44028600    9.61326600   12.36737000
 H                  5.74740300    9.55334600   13.22020100
 H                  6.77382700    8.59091900   12.11924200
 H                  7.33581800   10.17990300   12.69324500
 S                  3.81532000   12.25611000    7.52948800
 C                  4.58038900   11.45905300    8.93908200
 C                  5.74745500   10.70089500    8.75983500
 H                  6.18838700   10.57315000    7.76560400
 C                  6.33473400   10.10316200    9.88021200
 H                  7.22780700    9.48324300    9.74753200
 C                  5.79168700   10.27382700   11.17179400
 C                  4.63647600   11.06573500   11.31816400
 H                  4.18866900   11.19053900   12.31060100
 C                  4.01357500   11.65176600   10.20877800
 H                  3.09954700   12.24125900   10.31888300

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

Au 0
SDD


