Hi! Here it is:
START diazine_IP_CCSD
echo
MEMORY stack 1800 mb heap 100 mb global 2100 mb
GEOMETRY
C 1.1638680 -0.6314556 0.0944774
C 1.0933313 0.7517442 -0.0422778
N -0.0709305 1.3907936 -0.1374601
C -1.1639163 0.6314083 -0.0944436
C -1.0933636 -0.7517582 0.0422631
N 0.0709339 -1.3908142 0.1375219
H 2.1217830 -1.1355244 0.1707927
H 1.9948636 1.3546410 -0.0757501
H -2.1217945 1.1355701 -0.1707007
H -1.9948749 -1.3547048 0.0755771
END
BASIS "ao basis" PRINT
N library def2-SVPD
C library def2-SVPD
H library def2-SVPD
END
scf
singlet
rhf
thresh 1.0e-9
tol2e 1.0e-9
maxiter 200
end
tce
freeze atomic
ipccsd
2eorb
2emet 13
tilesize 40
attilesize 45
thresh 1.0d-5
maxiter 200
nroots 1
lshift 0.1
end
set tce:maxeorb 0.6
set tce:nts T
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