! 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  -5.0210088874   4.9088234345   0.6915427145
O    1.5843034849   1.2444108040   0.5971254907
O    0.6426502737  -2.7530683563   1.0257413924
N    1.8755518147  -0.9868658728   0.3136071587
N    2.4757585683  -3.1896363786  -0.2373334683
N    3.1024702681  -4.7391268386  -1.6689707487
C    1.0633072871   0.0150255632   1.0583504730
C    2.8821818705  -0.3142078557  -0.5475368528
C    2.2147842559   1.0542149298  -0.6476190057
C   -0.4439002467  -0.0560052035   0.7754707016
C    1.3246121123  -0.0670627110   2.5538171807
C    4.2341907974  -0.1815484918   0.1470132968
C    3.0357334889  -0.8968262735  -1.9447627933
C   -0.8711525153  -0.2062875385  -0.6777809305
C    1.5900221781  -2.2855167408   0.4246385397
C   -2.3940347417  -0.2943206300  -0.8255717794
C   -3.0858913770   0.9854630388  -0.4497010473
C    3.7622896886  -3.5275497669   0.1020503994
C    2.1277060123  -3.9572995855  -1.3010925204
C   -3.7332375973   1.1343249647   0.7732045145
C   -3.0568100195   2.0785651050  -1.3140854371
C    4.1253064600  -4.4847870673  -0.7941360253
C   -4.3320674618   2.3340885248   1.1333394670
C   -3.6480970494   3.2850505390  -0.9743870608
C   -4.2809004481   3.4022262979   0.2537778959
H    2.9409300498   1.8522279811  -0.8028527838
H    1.4997215015   1.0801196154  -1.4773380729
H   -0.8558382795   0.8706249794   1.1857431740
H   -0.8839185886  -0.8608509085   1.3635442508
H    2.3860323090   0.0456085332   2.7742415156
H    0.9860688527  -1.0160938397   2.9640111736
H    0.7815954812   0.7256341172   3.0696260344
H    4.1488894680   0.3087291473   1.1169700080
H    4.9001001327   0.4204827931  -0.4721392330
H    4.7165458254  -1.1447006624   0.2956369140
H    3.6875690924  -1.7675058677  -1.9814711122
H    2.0729201940  -1.1489442584  -2.3901532923
H    3.4971730879  -0.1368438017  -2.5775267111
H   -0.5160644551   0.6326799177  -1.2800783810
H   -0.4383277919  -1.1085525543  -1.1168125662
H   -2.7736084886  -1.1171189119  -0.2150160513
H   -2.6276637490  -0.5423188703  -1.8632596898
H    4.2695414681  -3.1103845307   0.9543987456
H    1.1576917700  -3.8871214865  -1.7684541527
H   -3.7755058084   0.3013113716   1.4643719003
H   -2.5651622541   1.9914499810  -2.2758579917
H    5.0661049537  -5.0084779775  -0.8478472797
H   -4.8303232005   2.4284329328   2.0885891071
H   -3.6161749565   4.1201491306  -1.6609855158
*