! 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  -4.4748383750  -1.2175652557   0.3591125275
O    3.3556288885   1.5739604272   0.4670546064
O    0.0686516352  -0.6329387667   1.6366280032
N    1.8021625368  -0.0418555877   0.2872243589
N    0.2973841322  -1.7347571626  -0.3265183833
N   -0.5784584001  -2.6324760358  -2.1365193929
C    2.2047895869   1.1171007014   1.1357329502
C    2.9267454662  -0.4494431239  -0.6035526220
C    4.0301818735   0.4314074855  -0.0034711324
C    1.1650693509   2.2292935962   1.1328936301
C    2.5581214130   0.7054079142   2.5655349213
C    3.3062598675  -1.9178099307  -0.4738983481
C    2.7293389134  -0.0695161418  -2.0682545499
C    0.7997798307   2.7837734607  -0.2405973647
C    0.7161512771  -0.7554517698   0.6180690629
C   -0.6206413496   3.3624507985  -0.2767696403
C   -1.6520384625   2.2802136569  -0.1240025028
C    0.0210709935  -3.0445382867  -0.0142158024
C   -0.1042974550  -1.5410050214  -1.6101489753
C   -1.9404956494   1.4358671073  -1.1941807664
C   -2.2822741182   2.0322820833   1.0915400877
C   -0.4967929867  -3.5808393418  -1.1489647761
C   -2.8085923908   0.3645196654  -1.0583559029
C   -3.1523465140   0.9630656444   1.2500536354
C   -3.4006046375   0.1315401800   0.1721492644
H    4.5593471569  -0.0881247835   0.8043056589
H    4.7661755189   0.7331477484  -0.7474216525
H    1.5431655384   3.0342619136   1.7689755384
H    0.2794715385   1.8491020198   1.6415818342
H    1.6724233344   0.5037392566   3.1608774536
H    3.0981609882   1.5241841462   3.0421456121
H    3.1910085633  -0.1818783343   2.6008240167
H    3.3367239165  -2.2372407249   0.5685862767
H    4.3045164587  -2.0598627423  -0.8912708644
H    2.6385120598  -2.5805441953  -1.0217617722
H    2.4177543828   0.9682253776  -2.1862461253
H    3.6770990011  -0.1916511203  -2.5939583186
H    2.0095200379  -0.7065117211  -2.5756636706
H    1.5096627527   3.5572043731  -0.5375829941
H    0.8641501418   2.0017304549  -1.0011844610
H   -0.7658185949   3.8796345334  -1.2277203487
H   -0.7388984203   4.1123658983   0.5091958712
H    0.2447862456  -3.4677837514   0.9502748117
H   -0.0637501983  -0.5777918658  -2.0899557848
H   -1.4752912320   1.6117293456  -2.1574275294
H   -2.0903630926   2.6780252913   1.9398227051
H   -0.8112164237  -4.5991437504  -1.3112892593
H   -3.0140158989  -0.2811542452  -1.9010228064
H   -3.6243833520   0.7832475363   2.2063404177
*