! 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   1.7305831077  -0.6350070065  -2.7079154671
Cl  -7.7986629701   1.1702159286   1.2903550663
O    3.4249066639   0.0202502625  -0.3439686994
O    2.5432459418  -0.1456528569   1.7098607376
O   -2.6652927062   1.3766183210  -1.5230291450
N    3.7045437270  -2.5372913766   0.6910426387
N    4.6894804685  -2.7188894111  -0.1925619647
N    5.4538499536  -2.9872491699   1.9004041079
C    2.3590646509  -0.5185182901   0.3662397104
C    3.8606255728   1.1866133562   0.3406966549
C    2.4108361971  -2.0501730554   0.2950847237
C    3.5681820943   0.8324334572   1.7924564887
C    1.0138402164  -0.0080475798  -0.1405870909
C    5.3176488064   1.4388421723   0.0464747285
C    0.6566906116  -0.0317545049  -1.4888837751
C    0.0671000380   0.4902288448   0.7496102760
C   -0.5798555348   0.4095529514  -1.9276051831
C   -1.1722796004   0.9517660243   0.3384761703
C   -1.4932369804   0.9044332503  -1.0094231407
C    4.1788852298  -2.6874886454   1.9294732969
C    5.7092265738  -2.9885080059   0.5775754816
C   -3.8297790167   1.3035394832  -0.8023326367
C   -4.1920699092   0.1687619932  -0.0887411127
C   -4.6828875691   2.3943369374  -0.8748941173
C   -5.4149478249   0.1325218787   0.5622813780
C   -5.9114184801   2.3531718270  -0.2351932320
C   -6.2668633804   1.2233379014   0.4838857046
H    3.2593698699   2.0501117151   0.0299722505
H    2.2000391696  -2.4156618275  -0.7063303916
H    1.6544631478  -2.4628084771   0.9616736652
H    4.4443747154   0.4054003856   2.2916687110
H    3.2230116258   1.6908732882   2.3699521520
H    5.6710344120   2.2882240209   0.6312730959
H    5.9248630200   0.5701472189   0.3071604862
H    5.4784511422   1.6739247201  -1.0052745778
H    0.3017012706   0.5306606685   1.8032609928
H   -0.8344653870   0.3778074962  -2.9785460082
H   -1.8643567192   1.3469192233   1.0699479236
H    3.5641520498  -2.5985048890   2.8104259809
H    6.6827008959  -3.2061410155   0.1670459308
H   -3.5398791647  -0.6932742465  -0.0366063785
H   -4.3948762632   3.2724425832  -1.4376490847
H   -5.6989127878  -0.7502884437   1.1180784492
H   -6.5781599029   3.2019922474  -0.2976182947
*
