! 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  -6.0285377328   1.4959112634  -1.9860668042
O    2.9204478746   1.6322746086  -0.2736639370
O    1.8724986226  -1.2651655436   2.4744803237
N    2.3514583990  -0.4363471757   0.4173300051
N    1.6057017856  -2.6445510591   0.6930609760
N    1.6326893527  -4.8255044749   0.3977152061
C    2.6053309144   0.9457910995   0.9149930356
C    2.7750537035  -0.5713545566  -1.0015471327
C    3.5851023846   0.7221009542  -1.1181432735
C    1.3677990442   1.5968382570   1.5265927710
C    3.7900989132   0.9993977685   1.8755020592
C    3.6732655232  -1.7684608534  -1.2780109007
C    1.6059006649  -0.5308133226  -1.9801871637
C    0.1027431246   1.5070556001   0.6868638885
C    1.9601491946  -1.3855565793   1.2678968469
C   -1.0812393861   2.1910865550   1.3714793690
C   -2.3376599836   2.0431123524   0.5635290410
C    0.4673734150  -2.9521590710  -0.0115126187
C    2.2569591662  -3.8120837622   0.9270796516
C   -2.7221404303   3.0155732840  -0.3550437265
C   -3.1193799615   0.8950888879   0.6725028864
C    0.5083954348  -4.3005484509  -0.1832150191
C   -3.8535056401   2.8573304184  -1.1426570658
C   -4.2532066230   0.7168893204  -0.1053057380
C   -4.6104759172   1.7047364062  -1.0096693266
H    4.6260802810   0.5668525510  -0.8079121895
H    3.5897212002   1.1154008728  -2.1340764212
H    1.6200693775   2.6467605127   1.7032264783
H    1.1884328523   1.1646300640   2.5115298769
H    4.0169458519   2.0417201336   2.1015898255
H    4.6835699898   0.5449619559   1.4460438964
H    3.5762802835   0.4948575538   2.8133123246
H    4.4109412572  -1.9168596841  -0.4887953271
H    4.2169833240  -1.5844951383  -2.2060585356
H    3.1176254032  -2.6934450593  -1.4196974352
H    0.9780655547  -1.4159990966  -1.9134248549
H    0.9797410505   0.3482214318  -1.8336959763
H    1.9969351482  -0.4947525360  -2.9977337883
H    0.2601812136   1.9637419998  -0.2928573620
H   -0.1602017370   0.4610355202   0.5045701386
H   -0.8557160666   3.2495387413   1.5219878895
H   -1.2263358089   1.7551528937   2.3633727408
H   -0.2737044785  -2.2170848205  -0.2753508039
H    3.1889911050  -3.8529539598   1.4683680574
H   -2.1322281731   3.9179809660  -0.4607138282
H   -2.8430232830   0.1223682396   1.3800312810
H   -0.2160250541  -4.9197665525  -0.6869229409
H   -4.1383963540   3.6260458609  -1.8480906504
H   -4.8492039301  -0.1798443174  -0.0033119567
*