! 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  -4.7238726683   0.9949860997  -2.7375951861
O    2.5105298415   1.5895797899   0.2615669395
O    1.7792665485  -2.4550329473  -1.3740158566
N    2.3221629562  -0.6173059720  -0.1572122320
N    0.9203249260  -2.2891638700   0.7172480235
N    0.3745332215  -3.2619192321   2.6140802180
C    2.0236743096   0.4240531430   0.8829449364
C    3.2032867672  -0.0528680947  -1.2098432028
C    3.6363596155   1.2276619380  -0.5040426460
C    0.5264193623   0.6139117661   1.1191553648
C    2.7897581814   0.1763354021   2.1786681310
C    4.4077599190  -0.9279852273  -1.5172011486
C    2.4208444833   0.2945257972  -2.4755323547
C    0.1529401896   1.9435149200   1.7662479477
C    1.7101681215  -1.7868032796  -0.3614966629
C   -1.3333384216   1.9804066211   2.1393500720
C   -2.2270893568   1.7448323098   0.9548834920
C   -0.4296335165  -2.5329386124   0.6502107557
C    1.3531263745  -2.7606295724   1.9148612114
C   -2.4157141398   2.7440298362   0.0023195696
C   -2.8349431040   0.5109690614   0.7408851277
C   -0.7459398346  -3.1114808204   1.8387993238
C   -3.1815351512   2.5250703813  -1.1321548727
C   -3.6047227668   0.2702161245  -0.3885764468
C   -3.7688686555   1.2830751715  -1.3187659351
H    4.5195447279   1.0627684641   0.1250406486
H    3.8633929721   2.0319130119  -1.2027936431
H    0.1578534582  -0.1871629465   1.7610114308
H    0.0053572685   0.5193664604   0.1627829070
H    3.8332003071  -0.0807929359   1.9979940883
H    2.3461922289  -0.6211428752   2.7690770995
H    2.7692881600   1.0770922290   2.7918844165
H    4.1460463160  -1.8078739823  -2.0999952198
H    4.9097844413  -1.2510182533  -0.6047994921
H    5.1259540385  -0.3501157058  -2.1013633616
H    1.5769366531   0.9497208122  -2.2553540748
H    3.0766550998   0.8195941905  -3.1711940582
H    2.0444086230  -0.5900427219  -2.9831662065
H    0.7329318322   2.1099268884   2.6769341099
H    0.3759967454   2.7737502259   1.0937519322
H   -1.5571569338   2.9514755758   2.5863555962
H   -1.5320920722   1.2284880620   2.9067771985
H   -1.0262656396  -2.2500494094  -0.2006099294
H    2.3941593140  -2.7552809200   2.1952893295
H   -1.9568493393   3.7154679900   0.1434377134
H   -2.7052163723  -0.2862048769   1.4632201705
H   -1.7189797324  -3.4290996036   2.1770387952
H   -3.3171652544   3.3142715847  -1.8591625215
H   -4.0674432974  -0.6960808726  -0.5369590725
*