calculating triplet excited states using CCSD(T)

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DR. WOON KAI LIN

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May 31, 2024, 9:06:28 AMMay 31
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I  have tested the code below to be working. However, it only calculate the singlet excited state. what input i should change to calculate the triplet excited state and where? I new in NWCHEM

"
start CCSD
PERMANENT_DIR /scr/user/yeehengteh/user_job/woon/mem_test/wo/scr
memory total 4 gb noverify
title "Nitrogen cc-pvdz SCF geometry optimization"  
geometry
C 2.97671925 3.99255363 0.32003089
C 1.64508514 3.80120572 -0.01094425
C 1.06222671 2.51265031 -0.0061672
C 1.86688329 1.37315323 0.25018453
C 3.21715419 1.61057379 0.61727321
C 3.766569 2.88437819 0.66081134
O 0.9053694 4.9009827 -0.38791453
C -0.42451629 4.85280181 -0.0658521
C -1.07501763 3.60955035 0.02964505
N -0.31964768 2.43554045 -0.28429291
C -1.08975316 6.04935478 0.19755118
C -2.42723131 6.0243883 0.59906863
C -3.06713817 4.7949646 0.77817614
C -2.39369196 3.59900151 0.51173114
C -0.93996846 1.22143216 -0.62456468
C -0.26663795 -0.00484616 -0.350526
B 1.21494002 -0.0208783 0.03338229
C -2.19332499 1.21390521 -1.26469308
C -2.8117398 -0.00255857 -1.5466952
C -2.23988612 -1.21978596 -1.18019691
C -0.97243177 -1.22365308 -0.57353094
N -0.36122311 -2.43401784 -0.2071604
C 1.04164376 -2.54897986 -0.1443619
C 1.89455743 -1.4208981 -0.03429327
C 1.58628245 -3.84851837 -0.25625636
C 2.95711833 -4.05252826 -0.27490922
C 3.81757616 -2.94709843 -0.20599993
C 3.2911003 -1.66756774 -0.09177577
C -1.10805059 -3.57538117 0.20492318
C -0.50504376 -4.83921476 0.07230535
O 0.77046796 -4.94606873 -0.41259685
C -2.37443592 -3.5087281 0.80589681
C -3.0495702 -4.67521093 1.17777881
C -2.45919407 -5.92701213 0.98276827
C -1.1721018 -6.00551734 0.44498342
H 3.37655402 5.00870998 0.30328687
H 3.84621983 0.7647149 0.89070158
H 4.8111815 3.02842784 0.94762656
H -0.53294062 6.98296469 0.09309667
H -2.95580715 6.96022593 0.79627638
H -4.09981583 4.75725255 1.13376375
H -2.90335162 2.64992129 0.67229356
H -2.66961698 2.14445708 -1.56899188
H -3.76742135 -0.0019363 -2.07851563
H -2.75111038 -2.15390857 -1.41032411
H 3.33047747 -5.0737187 -0.37768526
H 4.89893171 -3.09763973 -0.25520615
H 3.98028731 -0.82486943 -0.08380397
H -2.8388845 -2.53738819 0.97537141
H -4.04223023 -4.59768437 1.62818663
H -2.98791995 -6.84040434 1.26598231
H -0.65857339 -6.95974528 0.30948929
end  
basis spherical
  * library sto-3g
end
scf
  thresh 1.0e-10
  tol2e 1.0e-10
  singlet
  rhf
end

tce
  tilesize 20
  CCSD(T)
  freeze atomic
  diis 5
  thresh 1.0d-7
  2eorb
  nroots 2
  2emet 13
end

task tce energy"

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