! 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  -4.7059997822  -0.4311667328  -0.0353483777
O    1.8387406155  -1.2536704604  -1.1683579911
N    2.8974214748  -0.3859008786  -0.7968784742
N    0.3750379903   2.8288646300  -1.1728045609
C    2.4708824224   0.1445745347   0.5041576896
C    1.8634517573  -1.0962905893   1.1700676983
C    1.1683298418  -1.7668766766  -0.0125320402
C    1.4132131119   1.2175972030   0.2785450113
C    3.6209969146   0.7438930385   1.3023726990
C   -0.3091037234  -1.4558895645  -0.0854870990
C    4.1290292159  -1.1570494799  -0.7814053822
C    0.5364468089   1.5818680574   1.2939458150
C    1.2894213912   1.8948971262  -0.9286113730
C   -1.1426069761  -1.9399935803   0.9190604179
C   -0.8679040689  -0.6824278668  -1.0949260962
C   -0.4258516390   2.5460136092   1.0534839244
C   -2.4940579104  -1.6363302171   0.9419491750
C   -2.2178824790  -0.3626727104  -1.0842866080
C   -0.4743762944   3.1322504100  -0.1996154978
C   -3.0196246099  -0.8376417673  -0.0615582326
H    2.6566113859  -1.7304064732   1.5688762213
H    1.1882456854  -0.8789587866   1.9943404354
H    1.3015093746  -2.8531629222   0.0259045715
H    3.2350297056   1.1694992358   2.2283126650
H    4.1132812977   1.5464065209   0.7520736139
H    4.3669222588  -0.0023899998   1.5741661465
H    4.9677841489  -0.4825628372  -0.6196620656
H    4.2680366566  -1.6058732574  -1.7634177814
H    4.1743280530  -1.9545114522  -0.0315622127
H    0.5872366384   1.1147754552   2.2694386249
H    1.9590584814   1.6660263226  -1.7466491131
H   -0.7360344972  -2.5593300394   1.7100655503
H   -0.2555867539  -0.3039196163  -1.9000113712
H   -1.1300018081   2.8354565688   1.8210489767
H   -3.1242159391  -2.0158210862   1.7346706651
H   -2.6327939525   0.2538713984  -1.8698504424
H   -1.2228503887   3.8834972705  -0.4232581938
*
