! 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   3.8451001811   3.9500117404   0.4863345843
O   -0.7338687958  -0.2599418547   1.1637456836
N   -1.4250694697  -2.9675631019   0.2402261584
N   -0.4053556855  -3.1306271394   1.0916712004
N   -0.3192689331  -4.6760944973  -0.5266661561
C   -1.6611007313  -0.4964242533   0.1255640700
C   -2.7192202957   0.6500594451   0.2210607163
C   -0.9789453336  -0.5172299925  -1.2712884387
C   -2.3453702676  -1.8592935219   0.3728960553
C   -3.7486723592   0.5518383974  -0.9085986774
C   -3.4706462528   0.6064732628   1.5576357732
C   -2.0234189430   2.0134658087   0.1293221524
C    0.5340256331  -0.7623892304  -1.3004455817
C    1.3623710834   0.4081178370  -0.8416661055
C   -1.3525671401  -3.8875291500  -0.7185804266
C    1.3000157883   1.6242222611  -1.5180289769
C    2.2254445924   0.3117360447   0.2446905758
C    0.2263121411  -4.1633160995   0.5883645615
C    2.0552908676   2.7161926520  -1.1197987653
C    2.9947058772   1.3896372384   0.6589496403
C    2.8968773194   2.5892297582  -0.0262866356
H   -1.1631621993   0.4205823232  -1.7958508527
H   -1.4566492878  -1.2746187849  -1.8983862460
H   -2.7741722729  -1.9059315047   1.3725239749
H   -3.1477070373  -2.0330758748  -0.3407859931
H   -4.4597962955   1.3762688627  -0.8303765844
H   -4.3318879237  -0.3695121284  -0.8685476830
H   -3.2968613954   0.6153709284  -1.8991564128
H   -4.0959228657  -0.2808651865   1.6661686129
H   -4.1388514597   1.4666412742   1.6279576188
H   -2.7939626474   0.6486950869   2.4107670816
H   -1.5034585547   2.1625699530  -0.8171924368
H   -2.7678396722   2.8078837205   0.2108577498
H   -1.2975563960   2.1607272648   0.9280029252
H    0.7956448493  -0.9787624046  -2.3396563694
H    0.8195906858  -1.6556419047  -0.7416697121
H   -0.2369918342  -1.0709502677   1.3369139291
H   -2.0728163562  -3.9592900211  -1.5179940009
H    0.6506055047   1.7316595925  -2.3789185929
H    2.3070737484  -0.6226463298   0.7869968060
H    1.1134353384  -4.5640140404   1.0525466379
H    1.9875765039   3.6515599111  -1.6587648587
H    3.6567014389   1.2922053635   1.5088041387
*