! 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   5.2983992483   3.1951059816  -0.6243335072
O   -1.9005024551  -1.1998114198   1.3941440540
N   -0.7414675163  -2.7821853590  -0.6995251952
N    0.3712640265  -2.6044487902  -1.4194087715
N    0.7244436842  -4.1156597003   0.1994583916
C   -1.9391085543  -0.7467111054   0.0566382529
C   -3.1837642124   0.1252910476  -0.2297386787
C   -0.7276345315   0.2061180525  -0.1839337767
C   -2.7438871303   1.5174990346   0.2095455541
C   -1.3342652046   1.6149558318  -0.3559875290
C   -4.5292389181  -0.3779799889   0.3255501657
C   -1.9134540824  -1.9568339686  -0.8859774186
C    0.3395330506   0.1420855887   0.9186734055
C   -4.8142024216   0.0418788077   1.7676313826
C   -5.6721273168   0.0988903878  -0.5674810244
C    1.5777631029   0.9077613191   0.5468590255
C   -0.5102928799  -3.6747424430   0.2624294258
C    1.8451539842   2.1634987534   1.0838817977
C    2.4920675625   0.3754153492  -0.3610522495
C    2.9829195563   2.8758855804   0.7295768622
C    3.6356896433   1.0677016317  -0.7259907653
C    1.2156940172  -3.4217712270  -0.8435865971
C    3.8699717098   2.3188239906  -0.1757043263
H   -3.2785442318   0.1556239200  -1.3236859580
H   -0.2413146576  -0.0857233817  -1.1172686367
H   -2.7210092890   1.5905413620   1.2998401084
H   -3.4042600037   2.3066591052  -0.1540247976
H   -1.3812344668   1.8730127947  -1.4163661769
H   -0.7389313686   2.3916140154   0.1266729239
H   -4.5356829342  -1.4754836762   0.2865139231
H   -1.9288549542  -1.6362089323  -1.9258739749
H   -2.7935672575  -2.5848437298  -0.7299638532
H    0.6184455114  -0.8967427966   1.1101955714
H   -0.0617139619   0.5366092321   1.8544349614
H   -2.6972794910  -1.7121160216   1.5729933357
H   -4.0123336570  -0.2095312419   2.4605497504
H   -4.9798811083   1.1186922907   1.8397404422
H   -5.7206751627  -0.4470852954   2.1285211671
H   -5.5689487215  -0.2732990691  -1.5879674296
H   -5.7055609206   1.1899904463  -0.6138672647
H   -6.6373090222  -0.2412302616  -0.1878150797
H   -1.2639876574  -3.9942039230   0.9634789513
H    1.1593164238   2.5993160344   1.8001161826
H    2.3119273358  -0.6029781377  -0.7913114652
H    3.1712535291   3.8502196906   1.1596294784
H    4.3357523901   0.6332288993  -1.4266262383
H    2.2279553420  -3.5304628357  -1.2005572372
*