%chk=Product__opt__ircr__opt-ts-a0.chk
%mem=40GB
%nprocshared=20

#p 	BP86/gen pseudo=read nosymm iop(2/16=1)   
	empiricaldispersion=gd3    
	int=ultrafine  
   	scrf=(pcm,solvent=dichloroethane) 
   	opt=(maxcycles=1000)
   	freq=noraman

JMGFLAG: scan NAC5

1 1
 C                  4.39857500    1.41363400    2.03411700
 C                  4.75325800    1.79716900    0.76104700
 C                  3.78122800    2.30507200   -0.14369900
 C                  2.40803100    2.37943400    0.26252500
 C                  2.07430900    1.96661900    1.58331100
 C                  3.04689300    1.51332400    2.44744100
 H                  5.18745600    2.72176500   -1.73391500
 H                  5.14900400    1.04196500    2.72556300
 H                  5.78730900    1.73580600    0.43173600
 C                  4.14836400    2.78931600   -1.42374700
 C                  1.44435700    2.94214600   -0.63478900
 H                  1.04548400    2.04070100    1.91417000
 H                  2.77212900    1.21479700    3.45404300
 C                  1.87417200    3.46620400   -1.85598300
 C                  3.22583000    3.37691100   -2.25951500
 H                  3.53980800    3.76457400   -3.22032000
 O                  0.90655300    4.06478000   -2.62541500
 C                  1.27606500    4.69180100   -3.85947200
 H                  1.67814800    3.95824000   -4.56552600
 H                  0.35426100    5.11535800   -4.25834100
 H                  2.00630100    5.49006100   -3.68760500
 C                  0.01283900    2.96496200   -0.30853100
 C                 -0.86173900    1.96770800   -0.01955000
 C                 -2.20783300    2.56912100   -0.00339900
 C                 -2.12402900    3.93694100   -0.29861800
 C                 -3.21571900    4.77411300   -0.43940900
 H                 -3.10653200    5.82618100   -0.67199600
 C                 -4.47796000    4.18583800   -0.26408700
 H                 -5.36701300    4.80009200   -0.36334500
 C                 -4.60070700    2.82131600    0.02065100
 H                 -5.58994000    2.38872900    0.13704900
 C                 -3.47235000    2.00003700    0.14471900
 H                 -3.57360000    0.93630500    0.33195100
 S                 -0.18244000    5.57934500    0.90408600
 O                 -1.14601300    6.65654100    0.70408000
 O                 -0.11113400    4.78481800    2.12255300
 C                  1.41549700    6.04578700    0.31436800
 C                  2.54662500    5.51913200    0.94489000
 C                  1.48539500    6.89112200   -0.79926000
 C                  3.79656100    5.85364700    0.42890500
 H                  2.44732000    4.85850900    1.79761600
 C                  2.74641600    7.20496900   -1.30111400
 H                  0.58700100    7.29766500   -1.25150200
 C                  3.89353100    6.68349700   -0.69196900
 H                  4.69002500    5.45193600    0.89426600
 H                  2.83318300    7.85869300   -2.16270900
 H                  4.87138000    6.92754600   -1.09517500
 Au                -0.44382400   -0.04019000   -0.11669000
 P                 -0.08769600   -2.25173300   -0.89643200
 C                  1.74766500   -2.44405300   -1.41656700
 C                  2.53669100   -2.91410700   -0.16795700
 C                  2.03730600   -3.42057300   -2.58438700
 C                  2.28009900   -1.03403500   -1.81317800
 H                  2.20283800   -3.90896600    0.14458900
 H                  2.34125500   -2.23828900    0.66765800
 C                  4.04961300   -2.95633700   -0.46461500
 H                  1.51254100   -3.10461000   -3.49163500
 H                  1.69185200   -4.43114400   -2.34276400
 C                  3.55600300   -3.47040700   -2.87480000
 H                  2.11238700   -0.32708400   -0.99255900
 H                  1.73582500   -0.64547900   -2.68142100
 C                  3.79022300   -1.08732000   -2.12090700
 H                  4.56856900   -3.29197000    0.44252700
 C                  4.31154000   -3.94429400   -1.61751700
 C                  4.54434500   -1.55325800   -0.86116500
 H                  3.72643000   -4.17577600   -3.69814400
 C                  4.05015700   -2.06824000   -3.27883600
 H                  4.11948500   -0.07792700   -2.39881900
 H                  3.97788200   -4.95200800   -1.33445000
 H                  5.38772900   -4.00541600   -1.82784300
 H                  4.37444400   -0.84475800   -0.04056600
 H                  5.62568000   -1.57407900   -1.05407700
 H                  5.12232100   -2.10085900   -3.51465400
 H                  3.52792600   -1.73085100   -4.18490100
 C                 -1.28388000   -2.42255800   -2.37619600
 C                 -0.90539000   -1.36874300   -3.45247700
 C                 -1.36449700   -3.82204300   -3.03926800
 C                 -2.70253800   -2.08588400   -1.83611600
 H                  0.08266600   -1.58742600   -3.87146600
 H                 -0.85083100   -0.37070900   -2.99904600
 C                 -1.94722500   -1.36848800   -4.59105900
 H                 -1.67680900   -4.56661700   -2.30014300
 H                 -0.39059500   -4.13215600   -3.42735900
 C                 -2.39154400   -3.81090800   -4.19534400
 H                 -2.70032500   -1.10217200   -1.35089500
 H                 -2.98525600   -2.82506200   -1.07749700
 C                 -3.73931800   -2.08230300   -2.97758900
 H                 -1.65236800   -0.61526700   -5.33293500
 C                 -1.98466200   -2.76194200   -5.24771500
 C                 -3.33700800   -1.02261800   -4.02189200
 H                 -2.40654600   -4.80851400   -4.65227200
 C                 -3.78668400   -3.47177900   -3.63886500
 H                 -4.72181100   -1.83503700   -2.55522200
 H                 -0.99839600   -3.00787400   -5.66479000
 H                 -2.70004400   -2.76792400   -6.08080700
 H                 -3.31706400   -0.02600300   -3.55907000
 H                 -4.07846900   -0.99104700   -4.83118000
 H                 -4.52981300   -3.48055000   -4.44733300
 H                 -4.09492100   -4.22879700   -2.90489400
 C                 -0.48444800   -3.65672400    0.23186000
 C                 -0.22007800   -4.96525300   -0.22152100
 C                 -0.99320600   -3.49009400    1.54522100
 C                 -0.45078800   -6.08591300    0.57026100
 H                  0.19568300   -5.11421600   -1.20919200
 C                 -1.23246200   -4.63592300    2.32479600
 C                 -0.96728900   -5.91747000    1.85474000
 H                 -0.22490300   -7.07623800    0.18632200
 H                 -1.64657100   -4.51286400    3.31854100
 H                 -1.16439700   -6.77746500    2.48853800
 C                 -2.61816100   -1.63430800    2.03709700
 C                 -0.77187700   -1.96738900    3.49711400
 C                 -2.48057600   -0.33105000    2.86442400
 H                 -2.82901300   -1.41389300    0.98717800
 C                 -1.20936900   -0.50891200    3.73089100
 H                 -1.32857300   -2.60494200    4.20115300
 H                 -2.35657600    0.52034900    2.19474500
 H                 -3.37607400   -0.14565700    3.46206200
 H                 -0.42378300    0.17260800    3.39229900
 H                 -1.38275900   -0.31701400    4.79398400
 N                 -1.22939900   -2.19396100    2.10544700
 H                 -0.46709300    4.69106900   -1.36055800
 N                 -0.71018300    4.26864000   -0.44935000
 C                 -3.68708400   -2.59914300    2.53967400
 C                 -4.34243700   -3.43377700    1.62295100
 C                 -3.99682900   -2.74463600    3.90190600
 C                 -5.26655700   -4.39094600    2.04476900
 H                 -4.12385400   -3.33579000    0.56354200
 C                 -4.91537200   -3.70551300    4.33107600
 H                 -3.52835300   -2.10110200    4.64029800
 C                 -5.55203800   -4.53478400    3.40441200
 H                 -5.76103700   -5.02357100    1.31243500
 H                 -5.13736000   -3.80083300    5.39061600
 H                 -6.26871100   -5.27997500    3.73842700
 C                  0.69879000   -2.25711400    3.69642600
 C                  1.10056300   -3.26459700    4.58224900
 C                  1.68163200   -1.53768400    3.00662000
 C                  2.45397700   -3.55039800    4.77816300
 H                  0.34615800   -3.83362700    5.12039900
 C                  3.03535600   -1.81905600    3.19897900
 H                  1.38525000   -0.76281300    2.30590600
 C                  3.42662600   -2.82780800    4.08362800
 H                  2.74589900   -4.33743500    5.46824700
 H                  3.78280900   -1.25461700    2.64937000
 H                  4.48079100   -3.04749100    4.22947300

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

Au 0
SDD





