%nprocshared=20
%mem=41GB
#p opt=(qst3,calcfc,noeigentest,maxstep=5) freq=noraman b3lyp genecp nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) scrf=(pcm,solvent=dichloromethane) gfinput gfprint

sm

1 1
 C                  2.72226500    2.02936400   -0.30297100
 C                  2.06089700    0.85885600    0.10952200
 C                  2.78325000   -0.33332700    0.24517200
 C                  4.79194200    0.81935200   -0.49436900
 H                  2.29468800   -1.23662900    0.59745100
 H                  5.85379300    0.79682400   -0.72237900
 C                  0.62467600    1.14990700    0.33955000
 C                 -0.36773100    0.23239100    0.32363900
 C                  1.77803700    3.20637100   -0.36893200
 H                  1.49827900    3.43427100   -1.40347600
 H                  2.20343100    4.11668300    0.05840400
 C                 -0.31311300    2.58492200    2.82067900
 H                 -0.09337600    3.11033200    3.75487400
 H                 -1.41120000    2.57333800    2.71282300
 H                  0.01038700    1.54158400    2.84338600
 C                  0.34658800    4.78689900    1.77561100
 H                 -0.43925400    5.19883100    2.41687000
 H                  1.30049900    4.98009400    2.29546800
 H                  0.37890400    5.29712500    0.81049300
 P                 -0.24649500   -4.13280700   -0.26714800
 C                 -1.18483600   -5.10518700    0.97707300
 H                 -1.09824500   -6.17662600    0.76867600
 H                 -0.78838700   -4.89557000    1.97462700
 H                 -2.23828100   -4.81249700    0.94972000
 C                  1.45142300   -4.83072000   -0.20902600
 H                  1.42521600   -5.91244500   -0.37635100
 H                  2.06507400   -4.35718100   -0.98067900
 H                  1.89614500   -4.62416400    0.76862100
 C                 -0.91283600   -4.68882100   -1.88629300
 H                 -1.96162700   -4.39053800   -1.97024800
 H                 -0.34741900   -4.21503800   -2.69377900
 H                 -0.83447700   -5.77722400   -1.97729700
 Au                -0.31412300   -1.81552800    0.06146100
 C                  4.14574000   -0.34490500   -0.05990500
 H                  4.71167500   -1.26554800    0.05257200
 C                  4.07865400    2.01613900   -0.61662300
 H                  4.57815200    2.92550400   -0.94045000
 Br                -2.22848300    0.92166900    0.50291000
 C                  0.22519500    3.31482400    1.66152100
 C                  0.53283200    2.67026000    0.41324200
 H                 -0.39334100    3.06083100   -0.17969900
 O                 -1.34646700    3.81344300   -1.36653300
 H                 -0.81497200    4.63107500   -1.52672200
 C                 -1.39073600    3.03866600   -2.56842900
 O                  0.23216400    6.02037200   -1.42310200
 H                 -0.38574800    2.79375800   -2.93797000
 H                 -1.91445600    2.11054600   -2.33131900
 H                 -1.94000200    3.57184000   -3.35453400
 H                  0.93533500    6.06252700   -2.09097900
 C                 -0.48487400    7.26663400   -1.42153800
 H                 -1.26933800    7.16913400   -0.66867500
 H                  0.17515700    8.09734000   -1.14792300
 H                 -0.94452700    7.46693300   -2.39634500

p

1 1
 C                  2.72226500    2.02936400   -0.30297100
 C                  2.06089700    0.85885600    0.10952200
 C                  2.78325000   -0.33332700    0.24517200
 C                  4.79194200    0.81935200   -0.49436900
 H                  2.29468800   -1.23662900    0.59745100
 H                  5.85379300    0.79682400   -0.72237900
 C                  0.62467600    1.14990700    0.33955000
 C                 -0.36773100    0.23239100    0.32363900
 C                  1.77803700    3.20637100   -0.36893200
 H                  1.49827900    3.43427100   -1.40347600
 H                  2.20343100    4.11668300    0.05840400
 C                 -0.29453818    2.57735660    2.83332211
 H                 -0.06537078    3.09698394    3.76848522
 H                 -1.39352295    2.56962973    2.73465627
 H                  0.02598870    1.53295231    2.84761285
 C                  0.36300260    4.78305517    1.79476101
 H                 -0.41617387    5.19380263    2.44485276
 H                  1.32182867    4.97056076    2.30761189
 H                  0.38874603    5.29846350    0.83220234
 P                 -0.24649500   -4.13280700   -0.26714800
 C                 -1.18483600   -5.10518700    0.97707300
 H                 -1.09824500   -6.17662600    0.76867600
 H                 -0.78838700   -4.89557000    1.97462700
 H                 -2.23828100   -4.81249700    0.94972000
 C                  1.45142300   -4.83072000   -0.20902600
 H                  1.42521600   -5.91244500   -0.37635100
 H                  2.06507400   -4.35718100   -0.98067900
 H                  1.89614500   -4.62416400    0.76862100
 C                 -0.91283600   -4.68882100   -1.88629300
 H                 -1.96162700   -4.39053800   -1.97024800
 H                 -0.34741900   -4.21503800   -2.69377900
 H                 -0.83447700   -5.77722400   -1.97729700
 Au                -0.31412300   -1.81552800    0.06146100
 C                  4.14574000   -0.34490500   -0.05990500
 H                  4.71167500   -1.26554800    0.05257200
 C                  4.07865400    2.01613900   -0.61662300
 H                  4.57815200    2.92550400   -0.94045000
 Br                -2.22848300    0.92166900    0.50291000
 C                  0.23620953    3.31199499    1.67367000
 C                  0.53283200    2.67026000    0.41324200
 H                 -0.23414486    2.90518844   -0.32624169
 O                 -2.62952877    4.85570583   -2.62878065
 H                 -2.09803377    5.67333783   -2.78896965
 C                 -2.67379777    4.08092883   -3.83067665
 O                 -1.05089777    7.06263483   -2.68534965
 H                 -1.66880977    3.83602083   -4.20021765
 H                 -3.19751777    3.15280883   -3.59356665
 H                 -3.22306377    4.61410283   -4.61678165
 H                 -0.34772677    7.10478983   -3.35322665
 C                 -1.76793577    8.30889683   -2.68378565
 H                 -2.55239977    8.21139683   -1.93092265
 H                 -1.10790477    9.13960283   -2.41017065
 H                 -2.22758877    8.50919583   -3.65859265

ts

1 1
 C                  2.72226500    2.02936400   -0.30297100
 C                  2.06089700    0.85885600    0.10952200
 C                  2.78325000   -0.33332700    0.24517200
 C                  4.79194200    0.81935200   -0.49436900
 H                  2.29468800   -1.23662900    0.59745100
 H                  5.85379300    0.79682400   -0.72237900
 C                  0.62467600    1.14990700    0.33955000
 C                 -0.36773100    0.23239100    0.32363900
 C                  1.77803700    3.20637100   -0.36893200
 H                  1.49827900    3.43427100   -1.40347600
 H                  2.20343100    4.11668300    0.05840400
 C                 -0.29310138    2.57424812    2.82721677
 H                 -0.06393398    3.09387546    3.76237988
 H                 -1.39208615    2.56652125    2.72855093
 H                  0.02742550    1.52984383    2.84150751
 C                  0.36443940    4.77994669    1.78865567
 H                 -0.41473707    5.19069415    2.43874742
 H                  1.32326547    4.96745228    2.30150655
 H                  0.39018283    5.29535502    0.82609700
 P                 -0.24649500   -4.13280700   -0.26714800
 C                 -1.18483600   -5.10518700    0.97707300
 H                 -1.09824500   -6.17662600    0.76867600
 H                 -0.78838700   -4.89557000    1.97462700
 H                 -2.23828100   -4.81249700    0.94972000
 C                  1.45142300   -4.83072000   -0.20902600
 H                  1.42521600   -5.91244500   -0.37635100
 H                  2.06507400   -4.35718100   -0.98067900
 H                  1.89614500   -4.62416400    0.76862100
 C                 -0.91283600   -4.68882100   -1.88629300
 H                 -1.96162700   -4.39053800   -1.97024800
 H                 -0.34741900   -4.21503800   -2.69377900
 H                 -0.83447700   -5.77722400   -1.97729700
 Au                -0.31412300   -1.81552800    0.06146100
 C                  4.14574000   -0.34490500   -0.05990500
 H                  4.71167500   -1.26554800    0.05257200
 C                  4.07865400    2.01613900   -0.61662300
 H                  4.57815200    2.92550400   -0.94045000
 Br                -2.22848300    0.92166900    0.50291000
 C                  0.23764633    3.30888651    1.66756466
 C                  0.53283200    2.67026000    0.41324200
 H                 -0.35769624    3.04579946   -0.15687903
 O                 -1.44830227    3.89385466   -1.49333843
 H                 -0.91680727    4.71148666   -1.65352743
 C                 -1.49257127    3.11907766   -2.69523443
 O                  0.13032873    6.10078366   -1.54990743
 H                 -0.48758327    2.87416966   -3.06477543
 H                 -2.01629127    2.19095766   -2.45812443
 H                 -2.04183727    3.65225166   -3.48133943
 H                  0.83349973    6.14293866   -2.21778443
 C                 -0.58670927    7.34704566   -1.54834343
 H                 -1.37117327    7.24954566   -0.79548043
 H                  0.07332173    8.17775166   -1.27472843
 H                 -1.04636227    7.54734466   -2.52315043

C H P O 0
6-31G*
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****
Au 0
SDD
****

Br 0
LANL2DZ
Au 0
SDD




