! CASSCF def2-TZVP def2-TZVP/C moread
! NOMULLIKEN SlowConv TightSCF
%pal
 nproc 8
end
%Scf
 Maxiter 300
end
%output
# print [P_UNO_ReducedOrbPopMO_L] 1
 print [P_BondOrder_L] 1
end
%geom
 OptimizeHydrogens 1
end
#%rel
# SOCFlags 1,3,3,1
#end
%moinp "/home/Alessandro/Cr5/dimeri/3/prove/23_hyb.uno"
#%eprnmr
# dtensor ssandsoc
# dss uno
# gtensor 1
# solver DIIS
# dsoc cvw
# ori 0
#end
%casscf
 nel 8
 norb 8
 mult 3,1
 nroots 1,1
 bweight 1,0
 trafostep ri
 switchstep diis
 switchconv 0.001
end
%Method
 Grid 5
 FinalGrid 5
end
%coords
 Mult 3
 Charge 0
 Units Angs
  Coords
Cr         8.89709        1.57783        4.65376
Cr        10.70070        1.57867        5.15421
N          8.89767        3.48270        4.00549
N         10.84730        3.62105        5.21956
N          8.54761       -0.32842        5.28428
N         10.84730       -0.46678        5.21956
N          9.18596        0.86648        2.78954
N         11.35100        1.50237        3.23091
N          8.27672        2.20114        6.48248
C          8.40501        4.95152        2.07738
H          9.25708        5.37498        2.18178
C          8.08258        3.93271        2.99289
C          9.84232        4.30166        4.58611
C          7.24743       -1.71060        6.85850
H          8.04341       -2.17738        7.14662
C          7.37075       -0.71834        5.87179
C          9.66053       -1.14459        5.26779
C          8.55293       -1.02021        1.32786
H          9.44916       -1.18792        1.06270
C          8.26357        0.03634        2.19201
C         10.46420        1.04397        2.29347
C         13.10545        1.55967        1.60700
H         13.95160        1.66448        1.44477
C         12.63869        1.78607        2.90020
C          7.25456        3.10256        6.63782
C          7.24563        4.12557        7.60177
H          7.91843        4.13954        8.19679
C          9.05591        1.78607        7.53892
N         10.34361        1.50237        7.20821
C         11.23041        1.04397        8.14564
C         10.80209        0.86089        9.46035
H         11.41043        0.55622       10.16561
C         12.03408       -1.14459        5.17133
C         12.04675       -2.53516        5.23417
H         12.81425       -2.95582        5.27175
C         11.89596        5.68803        5.80415
C         11.85228        4.30166        5.85300
H         12.57816        6.13944        6.15908
H          7.75261        5.22947        1.32763
H          7.15735        3.48581        2.89661
H          9.74774        5.27784        4.57314
H          6.32698       -1.93635        7.26695
H          6.50694       -0.24478        5.56424
H          9.55696       -2.16957        5.21549
H          7.75144       -1.25040        0.99860
H          7.56777        0.30946        2.47111
H         10.68567        0.83396        1.43945
H         12.45759        1.27290        0.85662
H         13.27643        2.17270        3.61353
H          6.44113        3.02481        6.00749
H          6.49498        4.83338        7.62499
H          8.67273        1.65967        8.49377
H         12.20621        0.83599        7.88189
H          9.81595        1.05181        9.69723
H         12.92153       -0.62445        5.08823
H         11.16116       -3.06502        5.23647
H         11.12671        6.20464        5.34985
H         12.57979        3.78208        6.36855
  end
end