%nprocshared=24
%mem=120GB
#p wb97xd/genecp
scrf=(solvent=dichloromethane,pcm) nosymm scf=yqc

TS of the ts ats3 Enantiomer ccpVTZ

1 1
 C                  0.87384800    0.37182800   -0.81142400
 C                  1.36528000    1.43371000    0.12514600
 C                  1.01996800    2.79223900    0.00351000
 C                  2.16425200    1.06383000    1.21940500
 C                  1.47322100    3.72934300    0.92665500
 H                  0.38758300    3.11990600   -0.81100400
 C                  2.60778200    2.00368200    2.14341100
 H                  2.44367600    0.02398900    1.35437900
 C                  2.26897300    3.34660800    2.00263500
 H                  1.18840400    4.77032800    0.80300100
 H                  3.22430000    1.67886700    2.97662400
 H                  2.61479200    4.08130500    2.72298000
 C                  0.43569700    0.62455600   -2.17011500
 O                  0.50352000   -0.33113500   -2.99994200
 O                 -0.06011300    1.79197800   -2.51001800
 C                 -0.61163300    1.95179100   -3.83727500
 H                 -1.41171500    1.21849300   -3.96731100
 H                  0.17374000    1.75013900   -4.56917300
 C                  1.60660900   -0.95671000   -0.87398700
 C                  3.06705500   -1.09970300   -1.02456100
 C                  1.20990700   -2.16167600   -0.22974200
 C                  3.41501100   -2.37658100   -0.56814600
 C                  4.05739700   -0.25912900   -1.53326200
 H                  0.21839600   -2.45936900    0.09153700
 C                  4.71484200   -2.87299300   -0.60971400
 C                  5.36213000   -0.73136500   -1.57032500
 H                  3.81137100    0.73989300   -1.87939500
 C                  5.68600600   -2.02285000   -1.11918200
 H                  4.95607500   -3.87006000   -0.25819500
 H                  6.15128100   -0.09244700   -1.95341600
 H                  6.71598000   -2.36068300   -1.16672000
 H                  1.12696900   -1.11993300   -2.10025500
 N                  2.24401400   -2.98140000   -0.09473600
 Cu                -0.97127500    0.08683300   -0.03141700
 P                 -3.05368400   -0.51667700    0.42828100
 N                 -3.42597900   -1.48276700    1.75360700
 N                 -4.10164900    0.68304100    0.94373000
 O                 -3.76415600   -1.20380600   -0.87434400
 C                 -4.54937200   -0.98245100    2.44668800
 C                 -2.73625100   -2.70883700    2.02686000
 C                 -4.91686000    0.23000600    2.00917900
 C                 -3.79767300    2.06317400    0.68036800
 C                 -2.94079300   -1.89376000   -1.83371500
 H                 -5.00843300   -1.57908300    3.22114500
 C                 -1.50092600   -2.64756700    2.70482100
 C                 -3.28064600   -3.92533700    1.57961700
 H                 -5.73282100    0.84766300    2.35374300
 C                 -4.24292600    2.63586100   -0.52267400
 C                 -3.00214800    2.77817200    1.59744900
 H                 -2.13646200   -1.22858400   -2.17586400
 H                 -2.48030800   -2.76504000   -1.35306500
 C                 -3.81892100   -2.31180100   -2.99150300
 C                 -0.81042000   -3.84168800    2.91368600
 C                 -0.96946900   -1.33328900    3.25751700
 C                 -2.56108000   -5.09622300    1.83480100
 C                 -4.62766900   -3.99579700    0.87817800
 C                 -3.87191900    3.95434000   -0.79766900
 C                 -5.06997400    1.85391000   -1.52858700
 C                 -2.67422300    4.09845900    1.28555300
 C                 -2.51288200    2.16624100    2.90198200
 H                 -3.22137700   -2.85441200   -3.73027900
 H                 -4.25937700   -1.43507300   -3.47384400
 H                 -4.62536700   -2.96507000   -2.64654800
 H                  0.14295100   -3.82933400    3.43139300
 C                 -1.33607300   -5.05646900    2.48535200
 H                 -1.24092200   -0.53588900    2.55702000
 C                  0.55263500   -1.29010500    3.40861900
 C                 -1.65487300   -1.01941400    4.59684200
 H                 -2.96314100   -6.05249800    1.51437300
 H                 -4.88049600   -2.99067200    0.53059800
 C                 -4.60700600   -4.91197200   -0.35221600
 C                 -5.71873700   -4.44770600    1.86110000
 H                 -4.19505600    4.41888000   -1.72510400
 C                 -3.09769100    4.68159700    0.09712000
 H                 -5.34503700    0.90184500   -1.06855700
 C                 -4.23427100    1.53809400   -2.77643600
 C                 -6.36730300    2.58223400   -1.90083100
 H                 -2.06926700    4.67713600    1.97735000
 H                 -2.72418300    1.09421600    2.87930500
 C                 -1.00087400    2.32703800    3.09033300
 C                 -3.28349300    2.74672200    4.09559400
 H                 -0.78893800   -5.97663400    2.66742100
 H                  0.87097300   -0.26463900    3.62065300
 H                  1.05845400   -1.61378000    2.49241700
 H                  0.90101600   -1.92335000    4.23205900
 H                 -1.45483200   -1.81759300    5.32072600
 H                 -1.27551000   -0.08035800    5.01328300
 H                 -2.73902100   -0.92547900    4.48061000
 H                 -4.50723000   -5.96710000   -0.07468900
 H                 -5.54552900   -4.80811600   -0.90693500
 H                 -3.78196900   -4.66380000   -1.02794400
 H                 -5.51097600   -5.45809600    2.23237400
 H                 -5.78402200   -3.77997700    2.72582200
 H                 -6.69576500   -4.46091500    1.36609500
 H                 -2.82263600    5.70685400   -0.13161800
 H                 -4.79997500    0.90338600   -3.46704100
 H                 -3.31086800    1.01336200   -2.50471400
 H                 -3.95924000    2.45494200   -3.31083400
 H                 -6.17016900    3.52492200   -2.42365400
 H                 -6.97069900    1.95505300   -2.56597200
 H                 -6.96218500    2.80675600   -1.00953500
 H                 -0.70211900    3.37778800    3.15689200
 H                 -0.68397800    1.83720400    4.01710500
 H                 -0.43897700    1.88116400    2.26270600
 H                 -3.10222700    3.82341100    4.19332700
 H                 -4.36137600    2.59225100    3.98166800
 H                 -2.96403300    2.26193200    5.02474900
 H                  2.18481500   -3.92559800    0.26423500
 C                 -1.12316900    3.37211200   -3.91939100
 H                 -1.85830100    3.56140900   -3.13108100
 H                 -1.60212000    3.53215800   -4.88952700
 H                 -0.30267500    4.08753000   -3.81364600

-C -N -O -P -H 0 
cc-pVTZ 
****
-Cu 0
cc-pVTZ 
F  1  1.0 
3.525    1.000
****




