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

A4 intermediate of the ts ats34 Nup right  ccpVTZ

1 1
 C                  0.90159800    0.00849300   -1.30333200
 C                  0.97314100    1.31027800   -0.56631800
 C                  0.22476800    2.46702900   -0.92512200
 C                  1.72893000    1.38465900    0.63161800
 C                  0.28368700    3.62831800   -0.15046600
 H                 -0.36420800    2.47543200   -1.83271500
 C                  1.79521200    2.55637600    1.37236000
 H                  2.29043400    0.51774500    0.95859100
 C                  1.07663600    3.68777100    0.98713900
 H                 -0.30530000    4.48794700   -0.45395100
 H                  2.40217500    2.57660800    2.27204700
 H                  1.11920400    4.59417500    1.58160700
 C                  0.40496300   -0.13546900   -2.58308800
 O                  0.42059200   -1.29157000   -3.23809800
 O                 -0.14827100    0.85689100   -3.25445900
 C                 -0.62471800    0.64166000   -4.60460500
 H                 -1.35331700   -0.17291000   -4.59732300
 H                  0.22260300    0.35162100   -5.23005900
 C                  1.53749700   -1.20255200   -0.71489900
 C                  2.95121200   -1.46572800   -0.58052700
 C                  0.89537700   -2.29811700   -0.17771100
 C                  3.08232100   -2.72212200    0.04989700
 C                  4.10404000   -0.74506600   -0.92872200
 H                 -0.16339900   -2.49685400   -0.07306400
 C                  4.33029400   -3.28270300    0.34184000
 C                  5.34123300   -1.29351300   -0.64083200
 H                  4.01944600    0.22441800   -1.41219900
 C                  5.45131600   -2.55080700   -0.01085400
 H                  4.41472100   -4.25056400    0.82595700
 H                  6.24465300   -0.75109500   -0.90195900
 H                  6.43695500   -2.95305300    0.20215800
 H                  0.86333900   -1.95172700   -2.67267500
 N                  1.81211800   -3.20521500    0.27324000
 Cu                -0.85708600    0.47774300    0.05415800
 P                 -2.90330500   -0.21488600    0.50468100
 N                 -3.18210600   -1.38932600    1.67489700
 N                 -3.96328600    0.85304800    1.24572200
 O                 -3.67559000   -0.71900300   -0.84731300
 C                 -4.29951900   -1.05233300    2.46992300
 C                 -2.39408100   -2.57753500    1.82924000
 C                 -4.72933600    0.19549500    2.23854700
 C                 -3.77077000    2.27778000    1.20863500
 C                 -2.91644800   -1.10064300   -2.00627800
 H                 -4.70999300   -1.78499700    3.14919700
 C                 -1.22181200   -2.51765600    2.60811200
 C                 -2.80433400   -3.76412300    1.19363200
 H                 -5.55864600    0.71380200    2.69657200
 C                 -4.23526300    3.00438100    0.09824800
 C                 -3.09022500    2.90481200    2.26982100
 H                 -2.30299100   -0.25085200   -2.32749800
 H                 -2.24696500   -1.93199500   -1.75659400
 C                 -3.88846500   -1.49653700   -3.09457200
 C                 -0.47337500   -3.68618400    2.75628900
 C                 -0.79263900   -1.23835700    3.30648600
 C                 -2.01748900   -4.90531100    1.36757600
 C                 -4.08877300   -3.84400400    0.38476400
 C                 -4.00803800    4.38220100    0.07235700
 C                 -4.91820700    2.33561000   -1.08213300
 C                 -2.90984900    4.28750800    2.20820100
 C                 -2.53092900    2.13793200    3.45819500
 H                 -3.33738900   -1.80496800   -3.98852100
 H                 -4.53719800   -0.65533800   -3.35409800
 H                 -4.51266600   -2.33241900   -2.76731000
 H                  0.42940000   -3.67253100    3.35839800
 C                 -0.86552600   -4.87036500    2.14257700
 H                 -1.19568000   -0.39603200    2.73567200
 C                  0.72734800   -1.05270200    3.35748000
 C                 -1.41273000   -1.17722000    4.71030800
 H                 -2.31537500   -5.83819800    0.89909800
 H                 -4.41386000   -2.82487800    0.16192000
 C                 -3.89596300   -4.56665700   -0.95437100
 C                 -5.19411500   -4.52137300    1.20921200
 H                 -4.34745200    4.96328300   -0.78022300
 C                 -3.35968700    5.02301600    1.11947700
 H                 -5.13397400    1.30053300   -0.80870100
 C                 -3.96484800    2.31029400   -2.28588400
 C                 -6.25015600    3.00253500   -1.44588500
 H                 -2.39733500    4.79564800    3.02014000
 H                 -2.70577300    1.07201600    3.29729300
 C                 -1.01632600    2.33758400    3.57798000
 C                 -3.25128300    2.51609700    4.75856700
 H                 -0.27369300   -5.77158400    2.27460100
 H                  0.96263600   -0.03829500    3.69586400
 H                  1.17660900   -1.19361600    2.36850700
 H                  1.20471900   -1.74969100    4.05482000
 H                 -1.08181300   -2.03162300    5.31184700
 H                 -1.11089200   -0.26064700    5.22800800
 H                 -2.50652200   -1.19581000    4.66058000
 H                 -3.68294000   -5.63251600   -0.81770500
 H                 -4.81117300   -4.49262400   -1.55126600
 H                 -3.07368000   -4.13155500   -1.53277500
 H                 -4.92021000   -5.55474800    1.45226200
 H                 -5.37405200   -3.99051000    2.14964400
 H                 -6.13231600   -4.54149300    0.64423400
 H                 -3.20115300    6.09673100    1.08572700
 H                 -4.40768600    1.75789100   -3.12219800
 H                 -3.01313800    1.83359000   -2.02373700
 H                 -3.73987100    3.32652100   -2.63107900
 H                 -6.11143400    4.02999600   -1.80010900
 H                 -6.74149100    2.44077600   -2.24768200
 H                 -6.92472900    3.02880400   -0.58403000
 H                 -0.75323500    3.38927000    3.73406400
 H                 -0.62152200    1.76802600    4.42600600
 H                 -0.50332000    1.99959500    2.67172200
 H                 -3.09646300    3.57226100    5.00726800
 H                 -4.32907400    2.34166200    4.67558700
 H                 -2.87002700    1.91384300    5.59058500
 H                  1.57802200   -4.07483800    0.72638500
 C                 -1.24573600    1.94354200   -5.05605800
 H                 -2.08833500    2.21597900   -4.41400600
 H                 -1.61322300    1.83089700   -6.07991700
 H                 -0.50994200    2.75230000   -5.03811700

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




