! 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   0.2397796431   0.6283710746  -2.9105277290
Cl   3.8882391323  -2.0060542859  -0.0208963166
O   -1.5100977910   1.8100991819   0.9287472130
N   -2.5473477951  -0.8946502707   0.4479532567
N   -2.8405049548  -1.8967140635   2.3915133800
C   -1.2690688218   1.1100558663  -0.2658839434
C   -2.4494204554   0.1711653744  -0.5199985464
C    0.0340239485   0.3453679984  -0.2179208849
C    0.7779636684   0.0697618647  -1.3587482909
C    0.5126522934  -0.1552398422   0.9893024952
C   -2.0139441606  -2.1484761278   0.3242372028
C   -3.0135126570  -0.7917039064   1.7124169518
C   -0.9921515467   3.1330816925   0.9348302963
C    1.9643415489  -0.6465170684  -1.3171746421
C    1.6883846084  -0.8803723988   1.0662335459
C    2.4087427574  -1.1140639344  -0.0934232912
C   -2.2139936783  -2.7534674446   1.5282475302
C    0.5026540578   3.1908811145   0.9229916356
C    1.2026547346   3.7477394003  -0.0566346353
H   -1.2542579490   1.8090832185  -1.1111674655
H   -3.3741599718   0.7481994853  -0.5161741932
H   -2.3546878035  -0.2721746861  -1.5102760127
H   -0.0402691146   0.0314676384   1.9000609453
H   -1.5626752780  -2.4934769566  -0.5911437299
H   -3.4934786989   0.1016823940   2.0791183411
H   -1.3940420836   3.6992282084   0.0854475818
H   -1.3791093428   3.5926411148   1.8465535401
H    2.5276385570  -0.8307319720  -2.2211657147
H    2.0362785286  -1.2546345593   2.0188111238
H   -1.9431423601  -3.7569039596   1.8164307360
H    1.0148025817   2.7549463399   1.7751062818
H    2.2840008665   3.7874652522  -0.0307802080
H    0.7218065908   4.1822570568  -0.9255707647
*
