%nprocshared=24
%mem=115GB
%chk=Nidppf2_Cl_HA_optt_scanCCl_oss_s31_ossts_bbt
#p B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp SCRF(SMD,Solvent=Benzene)

TS CD Cl - triplet

0 3
 Ni                -0.33834900   -0.00137600   -0.05202200
 Fe                -3.35324300   -1.74147700    3.35881300
 Fe                 2.26341900   -0.04175400   -3.20426100
 P                 -4.12699400    1.32994900    1.79958700
 P                 -1.69868600   -1.84414300    0.21237600
 P                  1.84215900   -0.64569600    0.14163200
 P                 -0.68845000    1.23230900   -1.87903800
 C                 -4.56880200   -0.07344200    2.89920400
 C                 -5.18163500   -1.30661500    2.48967700
 H                 -5.46008500   -1.56509200    1.47909500
 C                 -5.35430500   -2.12998000    3.63985600
 H                 -5.76389800   -3.13189000    3.64362900
 C                 -4.82086100   -1.43382800    4.76610400
 H                 -4.75358500   -1.81168400    5.77820300
 C                 -4.32780900   -0.17503200    4.30890200
 H                 -3.84384800    0.57861000    4.91485900
 C                 -1.87284300   -2.26636900    1.98776900
 C                 -1.31990400   -1.46387000    3.03526700
 H                 -0.84433700   -0.51142900    2.87210200
 C                 -1.53486000   -2.12084100    4.27607000
 H                 -1.25433400   -1.74010800    5.24879500
 C                 -2.22665800   -3.34210700    4.01143700
 H                 -2.58061200   -4.04815400    4.75199500
 C                 -2.44324900   -3.43113000    2.60581200
 H                 -2.96520400   -4.22855900    2.09691100
 C                  2.49920300   -1.14286600   -1.48982100
 C                  3.77694200   -0.87316500   -2.08695000
 H                  4.56702100   -0.29011500   -1.63464000
 C                  3.78517700   -1.43240200   -3.39870100
 H                  4.58742900   -1.34382100   -4.12003900
 C                  2.52238800   -2.06085000   -3.62010600
 H                  2.20098400   -2.54111300   -4.53504600
 C                  1.73248000   -1.88539600   -2.44928300
 H                  0.72436700   -2.23885400   -2.29450800
 C                  0.72908700    1.32740600   -3.05099800
 C                  1.99281400    1.93800900   -2.74292700
 H                  2.26782200    2.37666400   -1.79629000
 C                  2.84163800    1.82439400   -3.88095600
 H                  3.87299700    2.14804500   -3.93398200
 C                  2.11982200    1.13838900   -4.90213600
 H                  2.50420400    0.84950100   -5.87180300
 C                  0.82007000    0.84101800   -4.39891100
 H                  0.04521000    0.30325800   -4.92508400
 C                 -4.26123700    2.77390000    2.96053600
 C                 -5.29498400    2.92855600    3.89824400
 H                 -6.04021800    2.14615000    4.01070900
 C                 -5.37709400    4.07898200    4.68214800
 H                 -6.18187300    4.18371400    5.40558100
 C                 -4.43371400    5.10097500    4.53198800
 H                 -4.50189100    5.99882900    5.14078600
 C                 -3.40735400    4.96334200    3.59717600
 H                 -2.66779000    5.75067300    3.47504700
 C                 -3.32077800    3.80443600    2.81919800
 H                 -2.50520200    3.68816900    2.11217800
 C                 -5.70460800    1.61079300    0.85533000
 C                 -5.59285400    2.39577800   -0.30472300
 H                 -4.62507700    2.79269500   -0.59789800
 C                 -6.70652100    2.65716400   -1.10397700
 H                 -6.59670600    3.26552400   -1.99838300
 C                 -7.95241700    2.12449700   -0.76345100
 H                 -8.81948700    2.31445400   -1.39073300
 C                 -8.07618100    1.34613300    0.38985000
 H                 -9.04272100    0.93054400    0.66422000
 C                 -6.96380400    1.09753300    1.19654300
 H                 -7.07679700    0.48552500    2.08579300
 C                 -1.01043300   -3.42276600   -0.47822400
 C                 -1.31869000   -3.80478900   -1.79716500
 H                 -2.04168500   -3.23239500   -2.36786400
 C                 -0.73109100   -4.93117900   -2.37228300
 H                 -0.98725400   -5.20974400   -3.39166600
 C                  0.17190200   -5.70419200   -1.63758400
 H                  0.62986700   -6.58341600   -2.08301900
 C                  0.47287900   -5.34199200   -0.32437900
 H                  1.17177400   -5.93107000    0.26161600
 C                 -0.10940800   -4.21048500    0.25180700
 H                  0.14625200   -3.94521100    1.27136200
 C                 -3.43893600   -1.97716500   -0.41005900
 C                 -4.13707900   -3.19793200   -0.41024200
 H                 -3.63954400   -4.10744900   -0.08963700
 C                 -5.46086700   -3.25941800   -0.84111400
 H                 -5.98853200   -4.20998900   -0.83053200
 C                 -6.10509400   -2.10150300   -1.29132800
 H                 -7.13741400   -2.14638500   -1.62840900
 C                 -5.41704000   -0.88979100   -1.30966100
 H                 -5.90638500    0.01305500   -1.65638800
 C                 -4.09169200   -0.83020100   -0.86825900
 H                 -3.55972100    0.11252500   -0.87765200
 C                  2.31177900   -2.10882900    1.17240300
 C                  1.85154900   -2.14925800    2.49727600
 H                  1.31351700   -1.30391100    2.90984300
 C                  2.07656900   -3.27197900    3.29271200
 H                  1.69689800   -3.28551000    4.30902600
 C                  2.78774700   -4.36250200    2.78421300
 H                  2.95930000   -5.23961800    3.40305500
 C                  3.28199500   -4.31601100    1.47912300
 H                  3.84425500   -5.15558000    1.07749700
 C                  3.04029200   -3.19953800    0.67534500
 H                  3.40253500   -3.18858900   -0.34750200
 C                  3.12298700    0.58135800    0.68133900
 C                  2.81625300    1.94839400    0.65346700
 H                  1.81815300    2.25830600    0.36796600
 C                  3.76802200    2.90017500    1.02681300
 H                  3.50938100    3.95573400    1.00513500
 C                  5.03899300    2.49563100    1.44212600
 H                  5.77816700    3.23441200    1.74080300
 C                  5.35212300    1.13380100    1.48272100
 H                  6.33694700    0.81036100    1.81062000
 C                  4.39967400    0.18404300    1.10839200
 H                  4.64712700   -0.87230100    1.15817000
 C                 -1.15310400    3.01364000   -1.75108900
 C                 -0.77642200    3.97969900   -2.69629300
 H                 -0.13198600    3.70473700   -3.52554900
 C                 -1.23466100    5.29393300   -2.58333800
 H                 -0.93340000    6.03439100   -3.32011000
 C                 -2.08657200    5.65356000   -1.53614000
 H                 -2.44926300    6.67502300   -1.45438000
 C                 -2.46989600    4.69634800   -0.59363900
 H                 -3.13434900    4.96736700    0.22227800
 C                 -1.99514900    3.38656400   -0.69341300
 H                 -2.27198900    2.64148000    0.04558100
 C                 -2.00319000    0.60518400   -3.02698500
 C                 -1.90104400   -0.72110600   -3.47701100
 H                 -1.03519400   -1.31065400   -3.19555700
 C                 -2.89371900   -1.28525800   -4.27602500
 H                 -2.79345100   -2.31311700   -4.61612500
 C                 -4.02375600   -0.53878600   -4.62033300
 H                 -4.80949300   -0.98299600   -5.22505500
 C                 -4.13824700    0.77828800   -4.17441000
 H                 -5.01513900    1.36661200   -4.43281100
 C                 -3.13260300    1.35108600   -3.39112300
 H                 -3.23814200    2.37741700   -3.05562100
 C                 -0.61073100    2.02602400    3.90028900
 H                 -1.28027800    2.87567400    3.83498600
 H                 -1.10645200    1.11312500    4.22059800
 C                  0.75467700    2.31579000    4.46206700
 H                  1.30043500    2.96385400    3.76472300
 H                  0.62300300    2.91405700    5.38218200
 C                  1.59395200    1.10259600    4.80225100
 C                  1.13530100    0.16280300    5.73788700
 C                  2.86251200    0.91978800    4.24012300
 C                  1.92995800   -0.92041700    6.11490600
 H                  0.15337700    0.29435000    6.18853200
 C                  3.66099000   -0.16262400    4.61538500
 H                  3.22709100    1.62531200    3.50021200
 C                  3.20192000   -1.08187800    5.55855800
 H                  1.55992600   -1.63375300    6.84759300
 H                  4.63630100   -0.28900400    4.15480500
 H                  3.82103000   -1.92751500    5.84514200
 Cl                -0.32130200    1.62287200    1.71131200

Ni Fe Cl P C H 0
6-311+G(d,p)
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