! 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   5.0565175283   0.7238295771  -0.4373447468
N   -3.4438860705   0.6804821268   0.4762877063
N   -4.3733476998   0.2091520402  -0.3612561276
N   -4.0014171116   2.3891114488  -0.7454208322
N   -2.3927173836  -2.5647146875  -1.1154281112
C   -1.5020927026  -0.8691239026   0.6644568994
C   -0.7929736634  -1.7309233399   1.7366485891
C   -2.7110102317  -0.1875346316   1.3565844967
C   -0.6340275108   0.2075899764   0.0264304010
C    0.3550454188  -2.6215496838   1.2552499399
C    1.5779038096  -1.8635125096   0.8220860400
C   -2.0084175546  -1.7935192440  -0.3518562466
C    0.1670754224   1.0059137872   0.8383021462
C   -0.6846925727   0.4770405583  -1.3355951607
C    1.8512535343  -1.6413541963  -0.5229334218
C    2.4318411818  -1.3066888317   1.7695658112
C    0.9326617313   2.0224760114   0.2929546613
C    0.0754173288   1.5024899371  -1.8817598416
C   -3.2232364061   1.9719519066   0.2215437066
C    0.8936974809   2.2726762081  -1.0720615137
C    2.9188342363  -0.8519092546  -0.9201002198
C    3.5094699158  -0.5201686969   1.3942583985
C   -4.6760213450   1.2681210385  -1.0643656564
C    3.7337873713  -0.2888746862   0.0470278623
H   -1.5516391743  -2.3708218397   2.1924880770
H   -0.4409987580  -1.0713116802   2.5320532256
H   -3.3929792738  -0.9323768683   1.7624928178
H   -2.3356911938   0.4069404482   2.1882482712
H    0.0117076107  -3.2759985096   0.4507509386
H    0.6104279727  -3.2788349298   2.0889426639
H    0.2125543332   0.8370756023   1.9062330117
H   -1.3085998336  -0.1136033049  -1.9947868005
H    1.2101989969  -2.0722401759  -1.2823011236
H    2.2490065062  -1.4739757274   2.8245845031
H    1.5647760578   2.6178009586   0.9381583478
H    0.0269426572   1.6924678958  -2.9459440785
H   -2.5101796835   2.5656145660   0.7713470071
H    1.4948928916   3.0649384611  -1.4980943255
H    3.1030903008  -0.6734929094  -1.9705105301
H    4.1582436239  -0.0890341298   2.1445960187
H   -5.4268798204   1.2334494236  -1.8378793937
*