%nprocshared=12
%mem=20GB
#p wb97xd/genecp scrf=(solvent=dichloromethane,pcm) nosymm scf=yqc

TS67 transition state ATS7 

0 1
6                  1.593831    0.725842    0.150247
6                  0.691057    0.302235    1.174492
8                  0.311305   -0.940043    1.299317
8                  0.169634    1.141367    2.010796
6                 -1.017044    0.751949    2.758563
1                 -1.783773    0.493767    2.023827
1                 -0.779855   -0.128398    3.358442
6                  2.227844    2.085573    0.331838
6                  3.616732    2.229332    0.376391
6                  1.433652    3.236351    0.412576
6                  4.198311    3.488110    0.513247
1                  4.250022    1.350792    0.301877
6                  2.014071    4.492770    0.552713
1                  0.352815    3.150364    0.354954
6                  3.400416    4.625177    0.604666
1                  5.280352    3.576698    0.548018
1                  1.379352    5.372462    0.612152
1                  3.853709    5.606416    0.709324
1                  0.698414   -1.471261    0.575910
8                 -0.014561    1.145282   -1.865882
1                  0.754705    0.907101   -0.835681
6                  2.446034   -0.390522   -0.367811
6                  3.372630   -1.217813    0.370033
6                  2.513948   -0.809647   -1.673547
6                  3.954143   -2.113126   -0.555936
6                  3.754436   -1.281614    1.719420
1                  1.980571   -0.432214   -2.534242
6                  4.897461   -3.071882   -0.173513
6                  4.689618   -2.227376    2.103262
1                  3.327743   -0.594464    2.445684
6                  5.253676   -3.115148    1.164500
1                  5.333254   -3.753552   -0.897429
1                  4.997419   -2.288717    3.142665
1                  5.984136   -3.846426    1.497047
7                  3.413999   -1.833228   -1.791507
6                 -1.175801    1.486087   -1.396271
8                 -1.486072    2.820565   -1.419901
6                 -0.695965    3.661803   -2.254727
1                 -0.913514    3.439772   -3.307598
1                  0.366618    3.473154   -2.084163
6                 -2.100461    0.630928   -0.842834
6                 -1.844860   -0.818530   -0.802017
6                 -2.389370   -1.775138    0.148823
6                 -0.974877   -1.540288   -1.584699
6                 -1.796873   -3.032617   -0.125919
6                 -3.285022   -1.689676    1.230462
1                 -0.361280   -1.201203   -2.402857
6                 -2.081915   -4.183586    0.616036
6                 -3.567111   -2.823793    1.974568
1                 -3.759920   -0.746836    1.480460
6                 -2.975175   -4.064099    1.667240
1                 -1.613732   -5.134147    0.376830
1                 -4.259870   -2.757352    2.808666
1                 -3.220175   -4.938064    2.263904
6                 -3.418022    1.128319   -0.372786
6                 -3.537247    2.213220    0.508866
6                 -4.600403    0.489848   -0.777104
6                 -4.779221    2.635817    0.973042
1                 -2.638272    2.730509    0.828804
6                 -5.844474    0.906503   -0.313120
1                 -4.534219   -0.357084   -1.454904
6                 -5.941873    1.982129    0.567919
1                 -4.837927    3.475665    1.660462
1                 -6.741842    0.389459   -0.642380
1                 -6.911507    2.307474    0.933719
7                 -0.926625   -2.858023   -1.172423
1                 -0.410190   -3.588618   -1.634414
1                  3.639483   -2.309174   -2.650602
6                 -1.054982    5.094046   -1.913152
1                 -0.490793    5.783555   -2.549019
1                 -2.123532    5.277085   -2.062395
1                 -0.810855    5.310601   -0.867627
6                 -1.410401    1.937349    3.606258
1                 -1.609374    2.813482    2.983157
1                 -2.323184    1.691261    4.156324
1                 -0.625281    2.185016    4.325848

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




