%nproc=20
%Mem=40000MB
%Chk=IE14_TSInt1b-2b_oriB2_more
#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                -0.21150500    7.82797000    7.73066700
 C                 -2.49136300    5.04678000    7.78437300
 C                 -3.45539000    4.25753200    8.44815800
 C                 -4.22164200    3.30041800    7.77242900
 C                 -4.03021300    3.09549200    6.39817300
 C                 -3.07688200    3.86290700    5.72574300
 C                 -2.30302500    4.84941100    6.38414200
 C                 -1.35937800    5.60523900    5.51194600
 C                 -0.37872200    4.91307200    4.77142100
 C                  0.40783600    5.57764700    3.81513000
 C                  0.23177000    6.95345700    3.58207200
 C                 -0.71767300    7.65524900    4.35304900
 C                 -1.51563300    6.99537600    5.29451100
 C                  1.62406100    8.83181400    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    8.58458100    2.77645100
 C                  3.96193300    9.57177600    3.33057300
 C                  5.35188400    9.39297400    3.38431100
 C                  5.94739500    8.24048000    2.85274600
 C                  5.11657000    7.25712800    2.29224200
 C                  3.72051100    7.41542200    2.26945700
 C                  6.16865000   10.38520800    4.16575700
 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    7.05309100   10.08998300
 P                 -1.43477600    6.16222000    8.82701500
 N                  0.88808700    7.57459400    2.47065000
 F                  7.49235600   10.32946700    3.89622400
 F                  6.02913000   10.10781500    5.52747000
 F                  5.74679200   11.66404400    3.99987200
 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                  1.30877200    9.31811600    3.63944500
 H                  2.12432600   10.35987200    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    0.64805300
 H                 -3.60067700    4.36106600    9.52298100
 H                 -4.61976900    2.34706200    5.86118500
 H                 -2.93938200    3.73097100    4.64988900
 H                 -0.24920000    3.83668900    4.92950500
 H                  1.13804900    5.02689700    3.21297000
 H                 -2.33496400    7.53481900    5.78427400
 H                 -0.88641300    8.71405700    4.15661400
 H                  3.51280100   10.49145800    3.71559200
 H                  3.07040000    6.63434800    1.86462400
 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                  2.19041200    9.18168400    7.69278900
 C                  1.04011700    9.37245900    7.10197900
 C                 -1.81873400    8.29627600   10.61577400
 H                 -0.87015600    8.03854800   11.11316900
 H                 -1.58871800    9.01034800    9.80505500
 H                 -2.46040200    8.81415800   11.35374200
 C                 -3.02558600    6.22206200   11.31523400
 H                 -3.61556200    5.32749500   11.06189000
 H                 -2.16879100    5.91032300   11.93465200
 H                 -3.67323000    6.85911500   11.94625400
 C                 -3.81246300    7.53745300    9.28574000
 H                 -3.50782400    8.10381500    8.38574500
 H                 -4.46384400    6.70657100    8.96753800
 H                 -4.41092200    8.21465100    9.92334200
 C                  0.60833100    5.72061700   10.71812200
 H                  1.02894000    6.66217700   10.32827300
 H                 -0.00152700    5.95294300   11.60730000
 H                  1.45338400    5.08989500   11.05126700
 C                 -0.84295400    3.69789000   10.23657300
 H                 -0.05025200    3.08388500   10.70388600
 H                 -1.58207900    3.93350600   11.01818700
 H                 -1.33170200    3.07971500    9.46530800
 C                  0.77670300    4.53866300    8.49973600
 H                  1.48579100    3.78694000    8.89394200
 H                  0.24001300    4.08437800    7.64799400
 H                  1.36245700    5.39684800    8.12300000
 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                  0.85481900   10.44820000    6.13310600
 C                 -0.33798100   10.76174300    5.45722500
 C                 -0.33873900   11.74092100    4.44970500
 H                 -1.25754700   10.23018400    5.71889200
 C                  0.84651700   12.42395800    4.12224000
 H                 -1.26740000   11.96047800    3.91534100
 H                  0.84483800   13.18047200    3.33207600
 C                  2.03780600   11.16872700    5.81707500
 C                  2.03962700   12.15269100    4.81861400
 H                  2.96218200   12.69848700    4.59572300
 C                  3.07586800    8.52512200    8.56661900
 C                  2.85554600    8.54681000    9.99568400
 C                  4.14710300    7.77312100    8.01860700
 C                  1.79452400    9.27987400   10.59037900
 C                  3.72256600    7.76740900   10.83622200
 C                  5.01038300    7.03190900    8.86831100
 C                  1.60419000    9.24951600   11.96769000
 H                  1.12879900    9.86794300    9.95143800
 C                  3.50205700    7.75555400   12.24401500
 C                  4.78838400    7.03263400   10.23762900
 H                  5.84891500    6.46810100    8.45504400
 C                  2.46174400    8.48585100   12.80322400
 H                  0.78430100    9.82421600   12.41152900
 H                  4.16992300    7.16080100   12.87684800
 H                  5.45788100    6.45746800   10.88697400
 H                  2.29904900    8.47284800   13.88578000
 O                  4.25867600    7.82274100    6.66907500
 C                  5.23346400    6.97430200    6.02429200
 H                  5.14840200    5.93141800    6.37534700
 H                  4.99114500    7.01786400    4.95596800
 H                  6.25369500    7.35944900    6.19344800
 N                  3.18134800   10.82783800    6.62442700
 H                  3.97110000   10.39399400    6.11749900
 O                  4.83312800   12.87482800    6.69813500
 O                  2.59526100   12.96723600    7.98635700
 C                  6.44608600    9.60456600   12.37027000
 H                  5.75320300    9.54754600   13.22600100
 H                  6.77092700    8.57931900   12.11924200
 H                  7.34451800   10.16250300   12.69324500
 S                  3.80372000   12.23291000    7.55268800
 C                  4.58328900   11.46195300    8.95648200
 C                  5.75325500   10.70379500    8.76853500
 H                  6.18838700   10.57895000    7.77430400
 C                  6.34053400   10.10316200    9.88601200
 H                  7.23360700    9.48324300    9.75333200
 C                  5.79748700   10.27092700   11.18049400
 C                  4.64227600   11.06283500   11.33266400
 H                  4.19736900   11.18473900   12.32510100
 C                  4.01647500   11.65176600   10.22617800
 H                  3.09954700   12.23545900   10.33918300

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

Au 0
SDD


