! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -5.9829707543  -0.3342576545   0.0737614758
O    0.5843579487   0.8232642442   0.9645764011
N    1.2236661914   1.5586082311  -0.0571199833
N    4.8077685151  -1.6912373271  -0.1252171255
C    1.8339266211   0.5044301094  -0.8752149130
C    0.7240058815  -0.5608294138  -0.9319173236
C    0.0320021687  -0.3810719960   0.4232314423
C    3.0713690067  -0.0243107381  -0.1639282584
C    2.2432981146   1.0020527613  -2.2572112754
C   -1.4760165309  -0.3419994241   0.3476131033
C    0.2431255062   2.3817891450  -0.7479231675
C    3.6741050969   0.6225688875   0.9063678470
C    3.6934929588  -1.1799011127  -0.6302339957
C   -2.2236225448   0.6406999970   0.9860359996
C   -2.1498384341  -1.3360804770  -0.3586286591
C    4.8378072905   0.0971350618   1.4480843735
C   -3.6093427031   0.6493037273   0.9052727135
C   -3.5324503725  -1.3439000087  -0.4463231532
C    5.3673547970  -1.0567866681   0.8998237220
C   -4.2531425056  -0.3428367549   0.1861171710
H    0.0444225208  -0.3502481147  -1.7595428236
H    1.0987723259  -1.5720316596  -1.0734766597
H    0.3225412388  -1.1831453840   1.1093803648
H    1.3887539230   1.3324972117  -2.8462237282
H    2.7220605404   0.1955241522  -2.8110630435
H    2.9590768865   1.8215613813  -2.1872856649
H   -0.2703890069   2.9983368492  -0.0134035187
H   -0.5095168016   1.8344184465  -1.3243053050
H    0.7646400228   3.0577379426  -1.4223701399
H    3.2513160782   1.5299976627   1.3121183725
H    3.2718130727  -1.7253002783  -1.4680623024
H   -1.7340609540   1.4203776448   1.5525303483
H   -1.5948936826  -2.1213351370  -0.8572010258
H    5.3288374213   0.5784937210   2.2823972961
H   -4.1750038052   1.4267689085   1.4003477080
H   -4.0373371389  -2.1199501082  -1.0051064975
H    6.2777952029  -1.4883156358   1.2978021751
*