! 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   6.0957428704   1.4246957421  -0.5170357414
O   -2.5294194466  -0.7848914641  -1.2827383727
N   -2.7777755003   1.5270010752   0.3407690557
N   -1.8814231728   2.5042936327   0.5075287749
N   -3.5176327822   3.1751986270  -0.8725405337
C   -1.8401934294  -0.7404723362  -0.0471924014
C   -1.7909085365  -2.1620987106   0.5602414790
C   -0.3562797474  -0.4024805972  -0.3055914091
C   -0.4760469520  -2.7872245855   0.0348706815
C    0.1568966641  -1.7280185551  -0.8725333761
C   -3.0599075688  -3.0212164634   0.3897346459
C   -2.5958506354   0.2025777733   0.8952788327
C    0.4257185905   0.0203376274   0.9488840013
C   -3.1921892140  -3.7390404019  -0.9521042505
C   -3.1354038010  -4.0505476045   1.5154289361
C    1.8489814924   0.3686929572   0.6192119215
C   -3.7359905994   1.9390149399  -0.4883057660
C    2.1413385957   1.5648297824  -0.0342385121
C    2.9031417806  -0.4886500187   0.9186013283
C    3.4392877992   1.8980725417  -0.3865924831
C    4.2114620037  -0.1736092613   0.5761787283
C   -2.3712711556   3.4657498120  -0.2326371323
C    4.4668093714   1.0194918538  -0.0780469235
H   -1.6789974570  -2.0098370196   1.6399822170
H   -0.2743004306   0.4122956059  -1.0349795465
H   -0.6346674134  -3.7255242376  -0.4952202894
H    0.1877991970  -3.0196747815   0.8693743057
H    1.2458308105  -1.7874548954  -0.8969394006
H   -0.1852538765  -1.8512213903  -1.9012405502
H   -3.9289077851  -2.3616560465   0.4980420792
H   -2.0996102647   0.3040078962   1.8580533796
H   -3.5888879519  -0.2040774497   1.0923043759
H    0.4055125014  -0.7691688992   1.7044409356
H   -0.0458148467   0.8958578694   1.3962878232
H   -2.2383321181  -0.0481226030  -1.8320010512
H   -2.4727537646  -4.5549680140  -1.0467963708
H   -4.1837528153  -4.1888281717  -1.0350039074
H   -3.0572684780  -3.0764803519  -1.8033713594
H   -2.2688369720  -4.7166577394   1.5009831038
H   -4.0262588014  -4.6745040723   1.4204882881
H   -3.1695612240  -3.5744011583   2.4970583989
H   -4.5786641736   1.3255909867  -0.7636847651
H    1.3415235672   2.2559910445  -0.2728003103
H    2.7070651446  -1.4233349609   1.4299822487
H    3.6436250794   2.8318203649  -0.8924921090
H    5.0159528542  -0.8548119710   0.8177723737
H   -1.8784740024   4.4225434323  -0.3082583744
*