! 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  -5.3678223384  -0.9138282983   0.3415843749
O    3.4606497443   0.8004149283   0.6631402752
O    0.4049422470  -0.5053462803  -0.5623067030
N    1.1080748676   1.6859079721  -0.2584008755
N    1.1926861789   2.0334161305  -1.5446923672
N    0.9831927989   3.8516803427  -0.2448982209
C    3.0242900451  -1.6033518799   0.3964366556
C    2.7103413364  -0.1540460409  -0.0568512096
C    1.2644782043   0.3095616412   0.1663047835
C    2.4768753116  -2.6317425631  -0.5978198833
C    4.5507750998  -1.7602786531   0.4136736509
C    2.4788474575  -1.8902128217   1.7945536155
C    0.9951792816   2.7759799861   0.5011176317
C   -0.9267689468  -0.5313333142  -0.2889561908
C    1.1063410722   3.3355506719  -1.4841719683
C   -1.6775172790  -1.3887251645  -1.0892807326
C   -1.5510630081   0.2085353024   0.7072007437
C   -3.0404895244  -1.5098144301  -0.8971928073
C   -2.9217313296   0.0856330818   0.8993373301
C   -3.6582033648  -0.7682093150   0.1000270077
H    2.9283927281  -0.0830445596  -1.1317809094
H    1.0420301986   0.2930878158   1.2391935359
H    2.8561779742  -3.6235191283  -0.3449230433
H    1.3913321089  -2.6954218203  -0.5973282807
H    2.8003902955  -2.4131511197  -1.6181991688
H    5.0282373465  -1.1702966377   1.1969239229
H    4.9984155654  -1.4813407276  -0.5441886305
H    4.8147199126  -2.8027407570   0.5984271943
H    1.3876778064  -1.9338722375   1.8142539999
H    2.8005300375  -1.1409531474   2.5202762141
H    2.8374506240  -2.8584597554   2.1485611247
H    4.3580284027   0.8055216059   0.3175644163
H    0.9268595451   2.7418612538   1.5771325185
H    1.1285548711   3.9437336658  -2.3745314989
H   -1.1892851159  -1.9649417345  -1.8644453465
H   -1.0126504088   0.8873075193   1.3528931074
H   -3.6130161024  -2.1802489265  -1.5230939048
H   -3.4005835098   0.6656765949   1.6760482168
*