! 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   0.1368099114  -0.6754796424   2.0595089142
Cl  -7.4206404364   2.4823544166   0.7802287509
O    3.4081092291  -0.1986266994  -1.0260188331
O    2.8180618406   0.2142953197   1.0871598409
O   -2.7860151062   0.2101322872  -1.9860909441
N    4.0750714421  -2.3548088176   0.6205228613
N    4.5578680460  -2.2346943478   1.8595815696
N    6.1928829239  -2.8038171799   0.4300453497
C    2.5018963668  -0.5677485134  -0.0220171065
C    4.0158558317   1.0519587807  -0.6855389994
C    2.7093304429  -2.0525373456   0.2890494222
C    3.2401764652   1.4603785362   0.5627373394
C    1.0657846448  -0.3336439162  -0.4912480834
C    5.4987608712   0.8679337117  -0.4478628039
C   -0.0358557090  -0.3676197846   0.3617899490
C    0.8061621073  -0.1019245800  -1.8395967008
C   -1.3324280923  -0.1770935132  -0.0934839754
C   -0.4727038327   0.1056110640  -2.3205601024
C   -1.5444541447   0.0664133504  -1.4423919904
C    5.0608621415  -2.6782604084  -0.2171537376
C    5.8240594625  -2.5143651073   1.6924399396
C   -3.8270770760   0.7420443977  -1.2697194080
C   -5.0680092915   0.1444457987  -1.4310353995
C   -3.6847158751   1.8743246191  -0.4789913355
C   -6.1801152871   0.6831668000  -0.8043401558
C   -4.7946420580   2.4053977922   0.1590224627
C   -6.0342934469   1.8083700606  -0.0090047129
H    3.8491483030   1.7561292207  -1.5037922412
H    2.4355845564  -2.6369133707  -0.5884654584
H    2.0713804617  -2.3758012164   1.1080224643
H    3.8511124623   1.9673332165   1.3084943931
H    2.3844353575   2.0997305481   0.3196242992
H    5.9781699083   0.3830571312  -1.2985774955
H    5.9737055360   1.8398670592  -0.3100039020
H    5.6920895496   0.2694647635   0.4441621398
H    1.6281006604  -0.0740799710  -2.5398670356
H   -2.1579585906  -0.2306296065   0.6036620885
H   -0.6387040391   0.2895275385  -3.3735644682
H    4.9065983518  -2.8322113278  -1.2728584971
H    6.5138446804  -2.5204432501   2.5217517042
H   -5.1706176200  -0.7347081538  -2.0533785375
H   -2.7238178522   2.3570208604  -0.3570887034
H   -7.1481680784   0.2202647848  -0.9369362080
H   -4.6861631593   3.2876606287   0.7744023501
*