! 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  -2.3957392195   4.9376017256   0.2329406308
N   -0.5023609586  -2.8586454054  -0.6281820026
N   -0.7308014662  -3.7333494884   0.3560247802
N    0.4242458646  -4.7038602042  -1.3056189883
N    0.5760250364  -1.4817569908   2.5622475561
C    0.1070854061  -0.5532418228   0.1635236235
C    1.4606021667  -0.5472536920  -0.5822669268
C   -0.9189083771  -1.4840518911  -0.5334711921
C    2.4817991771   0.4283373134  -0.0130882311
C   -0.5164618959   0.8363346504   0.2219091673
C    3.7954484079   0.4295433405  -0.7897582577
C    0.3523658232  -1.0630219394   1.5135050180
C   -0.9202319071   1.4283784612   1.4116362775
C   -0.7101007815   1.5349823672  -0.9681749056
C    4.5636413058  -0.8823849090  -0.7167008224
C   -1.4988668619   2.6897071958   1.4234233557
C   -1.2877082365   2.7929423647  -0.9732308671
C    0.1885364307  -3.4513730435  -1.6052136447
C   -1.6777680872   3.3630787340   0.2287065854
C   -0.1604082873  -4.8177288299  -0.0977315825
H    1.2679701350  -0.3106559471  -1.6323237824
H    1.8672767771  -1.5605406321  -0.5645489274
H   -1.0896875491  -1.1147585951  -1.5431838827
H   -1.8702926493  -1.4532300580  -0.0065959355
H    2.6851629669   0.1881826928   1.0356391906
H    2.0672150866   1.4388806137  -0.0226954316
H    4.4238203396   1.2322686450  -0.3971353774
H    3.5976868275   0.6837347799  -1.8352674596
H   -0.7915677966   0.9221708089   2.3591242662
H   -0.4051636877   1.1126041509  -1.9171526274
H    5.5303761989  -0.7973053032  -1.2141945598
H    4.0298654703  -1.7043401544  -1.1956213447
H    4.7521274219  -1.1716212154   0.3191450121
H   -1.8018716668   3.1336745514   2.3614234415
H   -1.4263565097   3.3192372194  -1.9072586354
H    0.4792002761  -2.9435595373  -2.5115107423
H   -0.1718368441  -5.7372165821   0.4658563465
*